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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21N3O3
Molecular Weight 435.4739
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ibcasertib

SMILES

COC1=CC2=NC=CC(OC3=CC4=CC=CC(C(=O)NC5=CC=CC=C5N)=C4C=C3)=C2C=C1

InChI

InChIKey=BRKWREZNORONDU-UHFFFAOYSA-N
InChI=1S/C27H21N3O3/c1-32-18-9-12-22-25(16-18)29-14-13-26(22)33-19-10-11-20-17(15-19)5-4-6-21(20)27(31)30-24-8-3-2-7-23(24)28/h2-16H,28H2,1H3,(H,30,31)

HIDE SMILES / InChI
Molecular Formula C27H21N3O3
Molecular Weight 435.4739
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
201 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
10 mg single, oral
dose: 10 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
354 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
20 mg single, oral
dose: 20 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
608 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
35 mg single, oral
dose: 35 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
756 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
1275 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
65 mg single, oral
dose: 65 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
311.98 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
10 mg 1 times / day steady-state, oral
dose: 10 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
517 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
20 mg 1 times / day steady-state, oral
dose: 20 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
773 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
35 mg 1 times / day steady-state, oral
dose: 35 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
1118 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
50 mg 1 times / day steady-state, oral
dose: 50 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
2238 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
65 mg 1 times / day steady-state, oral
dose: 65 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
1998 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
10 mg single, oral
dose: 10 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
3454 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
20 mg single, oral
dose: 20 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
5762 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
35 mg single, oral
dose: 35 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
7417 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
50 mg single, oral
dose: 50 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
11015 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
65 mg single, oral
dose: 65 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
4185 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
10 mg 1 times / day steady-state, oral
dose: 10 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
6175 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
20 mg 1 times / day steady-state, oral
dose: 20 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
11761 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
35 mg 1 times / day steady-state, oral
dose: 35 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
14504 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
50 mg 1 times / day steady-state, oral
dose: 50 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
24230 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
65 mg 1 times / day steady-state, oral
dose: 65 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
25.6 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/30642372/
10 mg single, oral
dose: 10 mg
route of administration: Oral
experiment type: SINGLE
co-administered:
CHIAURANIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: FASTED
Substance Class Chemical
Created
by admin
on Wed Apr 02 00:24:46 GMT 2025
Edited
by admin
on Wed Apr 02 00:24:46 GMT 2025
Record UNII
F40IRN5981
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CS2164
Preferred Name English
Ibcasertib
INN  
Official Name English
Chiauranib [WHO-DD]
Common Name English
ibcasertib [INN]
Common Name English
1-Naphthalenecarboxamide, N-(2-aminophenyl)-6-[(7-methoxy-4-quinolinyl)oxy]-
Systematic Name English
CHIAURANIB
Common Name English
N-(2-aminophenyl)-6-[(7-methoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
Systematic Name English
CS-2164
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 836221
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
Code System Code Type Description
SMS_ID
300000045573
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
INN
11902
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
FDA UNII
F40IRN5981
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
PUBCHEM
49779393
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
NCI_THESAURUS
C115970
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
CAS
1256349-48-0
Created by admin on Wed Apr 02 00:24:46 GMT 2025 , Edited by admin on Wed Apr 02 00:24:46 GMT 2025
PRIMARY
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Structure of Ibcasertib
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