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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

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Cyclin-dependent kinase 2/cyclin A
8
Inhibitor
8,504
 13.0 nM [IC50]
Tyrosine-protein kinase receptor FLT3
42
Inhibitor
8,504
 56.0 nM [IC50]
Tyrosine-protein kinase JAK2
59
Inhibitor
8,504
 73.0 nM [IC50]

Cmax

ValueDoseCo-administeredAnalytePopulation
2549.6 ng/mL
250 mg single, oral
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
33100.8 ng × h/mL
250 mg single, oral
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
9.5 h
250 mg single, oral
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
0.01%
Temozolomide
 ZOTIRACICLIB plasma
Homo sapiens
ACTIVE MOIETY
Structure of ZOTIRACICLIB
SALT/SOLVATE (PARENT)
Structure of ZOTIRACICLIB CITRATE
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