U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H18ClFN4O2
Molecular Weight 448.877
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLITINIB

SMILES

FC1=CC(COC2=CC=C(NC3=C4C=C(NC(=O)C=C)C=CC4=NC=N3)C=C2Cl)=CC=C1

InChI

InChIKey=MVZGYPSXNDCANY-UHFFFAOYSA-N
InChI=1S/C24H18ClFN4O2/c1-2-23(31)29-17-6-8-21-19(11-17)24(28-14-27-21)30-18-7-9-22(20(25)12-18)32-13-15-4-3-5-16(26)10-15/h2-12,14H,1,13H2,(H,29,31)(H,27,28,30)

HIDE SMILES / InChI
Molecular Formula C24H18ClFN4O2
Molecular Weight 448.877
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/24612546 | http://adisinsight.springer.com/drugs/800032292

AST-1306, also known as Allitinib, is an orally active potent, selective, irreversible inhibitor of the HER family of receptor tyrosine kinases. AST-1306 inhibits the enzymatic activities of wild-type epidermal growth factor receptor (EGFR) and ErbB2 as well as EGFR resistant mutant in both cell-free and cell-based systems. AST1306 potently suppressed tumor growth in ErbB2-overexpressing adenocarcinoma xenograft and FVB-2/N(neu) transgenic breast cancer mouse models. Allitinib is in Phase I clinical trial for the treatment of advanced solid tumors. Serious adverse effects detected were: diarrhea, dehydration and hyperbilirubinemia.

Originator

Allist Pharmaceuticals
1
Curator's Comment: https://www.ncbi.nlm.nih.gov/pubmed/21789172

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 0.5 nM [IC50]
Inhibitor
8504
 3.0 nM [IC50]
Inhibitor
8504
 0.8 nM [IC50]
Substrate
661
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Phase I
438
Unknown

Approved Use

Unknown
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
70.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
139 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: HIGH-FAT
22.6 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
67.7 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
15.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
50 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
75 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
50.9 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
57.1 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg single, oral
dose: 1500 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
33.8 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
69.6 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
47.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
61.9 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
70.7 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg 1 times / day steady-state, oral
dose: 400 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
65.1 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 1 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
24.2 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 2 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
48.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 2 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
93.2 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 2 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
61 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 2 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
59 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg 2 times / day steady-state, oral
dose: 1500 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
37.7 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 3 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
43.5 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 3 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
67.3 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 3 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
73.4 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 3 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
331 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
814 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: HIGH-FAT
116 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
201 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
350 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
630 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
696 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1030 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
997 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg single, oral
dose: 1500 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
735 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1150 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1130 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
2780 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
313 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg 1 times / day steady-state, oral
dose: 400 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
314 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 1 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
379 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 2 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
742 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 2 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
924 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 2 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
534 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 2 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
853 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg 2 times / day steady-state, oral
dose: 1500 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
780 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 3 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
913 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 3 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1030 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 3 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
1060 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 3 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
6.99 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.19 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: HIGH-FAT
4.66 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg single, oral
dose: 400 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.5 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.58 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.67 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.24 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.66 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.48 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg single, oral
dose: 1500 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.84 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg single, oral
dose: 600 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.56 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg single, oral
dose: 800 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.4 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg single, oral
dose: 1000 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.13 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg single, oral
dose: 1200 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.74 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
400 mg 1 times / day steady-state, oral
dose: 400 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
6.87 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 1 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.56 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 2 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.33 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 2 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.59 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 2 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.9 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 2 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
3.94 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1500 mg 2 times / day steady-state, oral
dose: 1500 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
5.38 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
600 mg 3 times / day steady-state, oral
dose: 600 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
4.88 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
800 mg 3 times / day steady-state, oral
dose: 800 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
6.23 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 3 times / day steady-state, oral
dose: 1000 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
7.57 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 3 times / day steady-state, oral
dose: 1200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
ALLITINIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: UNKNOWN
food status: FASTED
Doses

Doses

DosePopulationAdverse events​
1500 mg 2 times / day multiple, oral
Highest studied dose
Dose: 1500 mg, 2 times / day
Route: oral
Route: multiple
Dose: 1500 mg, 2 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
DLT: Diarrhea...
Dose limiting toxicities:
Diarrhea (grade 3, 33.3%)
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
1000 mg 3 times / day multiple, oral
MTD
Dose: 1000 mg, 3 times / day
Route: oral
Route: multiple
Dose: 1000 mg, 3 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
1200 mg 3 times / day multiple, oral
Studied dose
Dose: 1200 mg, 3 times / day
Route: oral
Route: multiple
Dose: 1200 mg, 3 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
DLT: Diarrhea...
Dose limiting toxicities:
Diarrhea (grade 3, 66.7%)
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
AEs

AEs

AESignificanceDosePopulation
Diarrhea grade 3, 33.3%
DLT, Disc. AE
1500 mg 2 times / day multiple, oral
Highest studied dose
Dose: 1500 mg, 2 times / day
Route: oral
Route: multiple
Dose: 1500 mg, 2 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
Diarrhea grade 3, 66.7%
DLT, Disc. AE
1200 mg 3 times / day multiple, oral
Studied dose
Dose: 1200 mg, 3 times / day
Route: oral
Route: multiple
Dose: 1200 mg, 3 times / day
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
unhealthy, ADULT
Health Status: unhealthy
Age Group: ADULT
Sex: M+F
Food Status: UNKNOWN
Sources:
https://pubmed.ncbi.nlm.nih.gov/24612546/
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
inhibitor
2252

substrate
1946
inhibitor
2438

substrate
1193
substrate
1388

inhibitor
2507

OverviewOther

Other InhibitorOther SubstrateOther Inducer
CYP2C8
810

GST
5

P-gp
2052

CYP2C19
1119

CYP1B1
104

CYP2E1
729

CYP1A2
1197

CYP3A5
446

CYP2A6
626

CYP4A11
137

CYP2B6
776
Drug as perpetrator​

Drug as perpetrator​

TargetModalityActivityMetaboliteClinical evidence
CYP2D6
2546
 no
CYP3A4
2633
 yes [IC50 1.8999 uM]
CYP2C9
2497
 yes [IC50 3.3786 uM]
Drug as victim

Drug as victim

TargetModalityActivityMetaboliteClinical evidence
CYP1A2
1197
 major
CYP2C8
810
 major
CYP3A4
1946
 major
CYP3A5
446
 major
CYP2C9
1193
 no
CYP1B1
104
 yes
CYP2A6
626
 yes
CYP2B6
776
 yes
CYP2C19
1119
 yes
CYP2D6
1388
 yes
CYP2E1
729
 yes
CYP4A11
137
 yes
GST
5
 yes
P-gp
2052
 yes
PubMed

PubMed

TitleDatePubMed
Cytotoxicity of allitinib, an irreversible anti-EGFR agent, in a large panel of human cancer-derived cell lines: KRAS mutation status as a predictive biomarker.
2016-06
Repositioning of Tyrosine Kinase Inhibitors as Antagonists of ATP-Binding Cassette Transporters in Anticancer Drug Resistance.
2014-09-29
AST1306, a potent EGFR inhibitor, antagonizes ATP-binding cassette subfamily G member 2-mediated multidrug resistance.
2014-08-01
Patents

Patents

US20140121126 A1
1
US20160002600 A1
1
WO2016191471 A1
1

Sample Use Guides

In Vivo Use Guide
1000 mg three times daily
Route of Administration: Oral
In Vitro Use Guide
The Calu-3 lung adenocarcinoma and BT474 breast cancer cell line, containing high levels of ErbB2, were more sensitive to AST1306, with IC50 values of 0.23 and 0.97 uM/L, respectively.
Substance Class Chemical
Created
by admin
on Wed Apr 02 06:55:35 GMT 2025
Edited
by admin
on Wed Apr 02 06:55:35 GMT 2025
Record UNII
CX0M5RO7CY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALS 1306
Preferred Name English
ALLITINIB
Common Name English
AST1306
Common Name English
N-(4-((3-CHLORO-4-((3-FLUOROBENZYL)OXY)PHENYL)AMINO)QUINAZOLIN-6-YL)ACRYLAMIDE
Systematic Name English
AST 1306
Common Name English
2-PROPENAMIDE, N-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-
Systematic Name English
N-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-2-PROPENAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
CX0M5RO7CY
Created by admin on Wed Apr 02 06:55:35 GMT 2025 , Edited by admin on Wed Apr 02 06:55:35 GMT 2025
PRIMARY
PUBCHEM
24739943
Created by admin on Wed Apr 02 06:55:35 GMT 2025 , Edited by admin on Wed Apr 02 06:55:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID30647124
Created by admin on Wed Apr 02 06:55:35 GMT 2025 , Edited by admin on Wed Apr 02 06:55:35 GMT 2025
PRIMARY
NCI_THESAURUS
C179280
Created by admin on Wed Apr 02 06:55:35 GMT 2025 , Edited by admin on Wed Apr 02 06:55:35 GMT 2025
PRIMARY
CAS
897383-62-9
Created by admin on Wed Apr 02 06:55:35 GMT 2025 , Edited by admin on Wed Apr 02 06:55:35 GMT 2025
PRIMARY
Related Record Type Details
EPIDERMAL GROWTH FACTOR RECEPTOR
TARGET -> INHIBITOR
irreversible selective inhibitor
IRREVERSIBLE INHIBITOR
IC50
CYTOCHROME P450 3A5
METABOLIC ENZYME -> SUBSTRATE
MAJOR
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MAJOR
RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2
TARGET -> INHIBITOR
irreversible selective inhibitor
IRREVERSIBLE INHIBITOR
IC50
Structure of ALLITINIB
EXCRETED UNCHANGED
FECAL
CYTOCHROME P450 1A2
METABOLIC ENZYME -> SUBSTRATE
MAJOR
Related Record Type Details
Structure of N-(4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)-2,3-DIHYDROXYPROPANAMIDE
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Structure of N-(4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)PROPANAMIDE
METABOLITE -> PARENT
FECAL; PLASMA
Structure of N-(4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-QUINAZOLINYL)-2,3-DIHYDROXYPROPANAMIDE
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Structure of L-CYSTEINE, N-ACETYL-S-(3-((4-((3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)AMINO)-6-QUINAZOLINYL)AMINO)-3-OXOPROPYL)-
METABOLITE -> PARENT
URINE
Structure of (2S,3S,4S,5R,6S)-6-(6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
METABOLITE -> PARENT
PLASMA
Structure of (2R)-2-ACETAMIDO-3-(3-((4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)AMINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID
METABOLITE -> PARENT
FECAL
Structure of 6-AMINO-4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)ANILINO)QUINAZOLIN-2-OL
METABOLITE -> PARENT
Structure of (2R)-2-AMINO-3-(3-((4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)AMINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID
METABOLITE -> PARENT
FECAL; URINE
Structure of N-(4-(3-CHLORO-4-HYDROXY-ANILINO)-2-HYDROXY-QUINAZOLIN-6-YL)PROP-2-ENAMIDE
METABOLITE -> PARENT
FECAL; URINE
Structure of 2-PROPENAMIDE, N-(4-((3-CHLORO-4-HYDROXYPHENYL)AMINO)-6-QUINAZOLINYL)-
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Structure of (2-CHLORO-4-((2-HYDROXY-6-(PROP-2-ENOYLAMINO)QUINAZOLIN-4-YL)AMINO)PHENYL) HYDROGEN SULFATE
METABOLITE -> PARENT
URINE
Structure of N-(4-(3-CHLORO-4-HYDROXY-ANILINO)QUINAZOLIN-6-YL)-3-HYDROXY-PROPANAMIDE
METABOLITE -> PARENT
FECAL
Structure of 4,6-QUINAZOLINEDIAMINE, N4-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC AT DAY 1

IN CANCER PATIENTS

THREE TIMES A DAY

ORAL ADMINISTRATION

Biological Half-life PHARMACOKINETIC IN CANCER PATIENTS

AT DAY 24

THREE TIMES A DAY FOR 21 DAYS

ORAL ADMINISTRATION

Biological Half-life PHARMACOKINETIC THREE TIMES A DAY

IN CANCER PATIENTS

AT DAY 1

ORAL ADMINISTRATION

Tmax PHARMACOKINETIC IN CANCER PATIENTS

AT DAY 24

THREE TIMES A DAY FOR 21 DAYS

ORAL ADMINISTRATION

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