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Details

Stereochemistry ACHIRAL
Molecular Formula C23H24N4O
Molecular Weight 372.4629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZOTIRACICLIB

SMILES

CN1C\C=C\CCOC2=CC(=CC=C2)C3=NC(NC4=CC(C1)=CC=C4)=NC=C3

InChI

InChIKey=VXBAJLGYBMTJCY-NSCUHMNNSA-N
InChI=1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+

HIDE SMILES / InChI
Molecular Formula C23H24N4O
Molecular Weight 372.4629
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 13.0 nM [IC50]
Inhibitor
8504
 56.0 nM [IC50]
Inhibitor
8504
 73.0 nM [IC50]
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
2549.6 ng/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/33785481/
250 mg single, oral
dose: 250 mg
route of administration: Oral
experiment type: SINGLE
co-administered: Temozolomide
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
33100.8 ng × h/mL
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/33785481/
250 mg single, oral
dose: 250 mg
route of administration: Oral
experiment type: SINGLE
co-administered: Temozolomide
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
9.5 h
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/33785481/
250 mg single, oral
dose: 250 mg
route of administration: Oral
experiment type: SINGLE
co-administered: Temozolomide
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens
population: UNHEALTHY
age: ADULT
sex: FEMALE / MALE
food status: UNKNOWN
Funbound

Funbound

ValueDoseCo-administeredAnalytePopulation
0.01%
EXPERIMENT
https://pubmed.ncbi.nlm.nih.gov/22372550/
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens
Substance Class Chemical
Created
by admin
on Wed Apr 02 09:45:20 GMT 2025
Edited
by admin
on Wed Apr 02 09:45:20 GMT 2025
Record UNII
40D08182TT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZOTIRACICLIB
INN   USAN  
Official Name English
TG-02
Preferred Name English
Zotiraciclib [WHO-DD]
Common Name English
SB-1317 FREE BASE
Common Name English
(6E)-9-Methyl-3-oxa-9,12-diaza-1(4,2)-pyrimidina-2,11(1,3)-dibenzenacyclododecaphan-6-ene
Common Name English
zotiraciclib [INN]
Common Name English
ZOTIRACICLIB [USAN]
Common Name English
20-OXA-5,7,14,27-TETRAAZATETRACYCLO(19.3.1.12,6.18,12)HEPTACOSA-1(25),2,4,6(27),8,10,12(26),16,21,23-DECAENE, 14-METHYL-, (16E)-
Systematic Name English
EX 45
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 710719
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
Code System Code Type Description
ChEMBL
CHEMBL1944698
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID601337151
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
WIKIPEDIA
Zotiraciclib
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
USAN
FG-156
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
SMS_ID
100000177623
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
FDA UNII
40D08182TT
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
CAS
1204918-72-8
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
CAS
937270-47-8
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
EVMPD
SUB193165
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
NCI_THESAURUS
C171725
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
MANUFACTURER PRODUCT INFORMATION
TG-02
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY TG02 is a novel pyrimidine-based multi-kinase inhibitor that inhibits CDKs 1, 2, 7 and 9 together with JAK2 and FLT3. It dose-dependently inhibits signaling pathways downstream of CDKs, JAK2 and FLT3 in cancer cells with the main targets being CDKs. TG02 is anti-proliferative in a broad range of tumor cell lines, inducing G1 cell cycle arrest and apoptosis. In vivo, TG02 exhibits favorable pharmacokinetics after oral dosing in xenograft models and accumulates in tumor tissues, inducing an effective blockade of both CDK and STAT signaling. TG02 induces tumor regression after oral dosing on both daily and intermittent schedules in a murine model of mutant-FLT3 leukemia (MV4-11) and prolongs survival in a disseminated AML model with wild-type FLT3 and JAK2 (HL-60). TG02 is active in various models of leukemia and provide a rationale for the ongoing clinical evaluation of TG02 in patients with advanced leukemias.
INN
11186
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
PUBCHEM
16739650
Created by admin on Wed Apr 02 09:45:20 GMT 2025 , Edited by admin on Wed Apr 02 09:45:20 GMT 2025
PRIMARY
Related Record Type Details
CYCLIN-DEPENDENT KINASE 3
TARGET -> INHIBITOR
IC50
CYCLIN-DEPENDENT KINASE 1
TARGET -> INHIBITOR
IC50
Structure of ZOTIRACICLIB CITRATE
SALT/SOLVATE -> PARENT
TYROSINE-PROTEIN KINASE JAK2
TARGET -> INHIBITOR
TYROSINE-PROTEIN KINASE JAK1
TARGET -> INHIBITOR
CYCLIN-DEPENDENT KINASE 9
TARGET -> INHIBITOR
IC50
CYCLIN-DEPENDENT KINASE 2
TARGET -> INHIBITOR
IC50
CYCLIN-DEPENDENT-LIKE KINASE 5
TARGET -> INHIBITOR
IC50
Related Record Type Details
Structure of ZOTIRACICLIB
ACTIVE MOIETY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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