e-Drug3D

2109

CAPIVASERTIB

INN
CAPIVASERTIB

cas 1143532-39-1

CLASS

ANTINEOPLASTIC
TREATMENT OF BREAST CANCER
INHIBITOR OF SERINE/THREONINE KINASE AKT (AKT1, AKT2 AND AKT3)

ROUTE (list)

ORAL

ATC code

L01EX27

PK parameters

F 29 PERCENT
Tmax 1.5 HOUR
VD 1847 LITER
Cl 50 LITER / HOUR
PPB 22 PERCENT
t1/2 8.3 HOUR

Solubility

PRACTICALLY INSOLUBLE AT PH VALUES ABOVE 6.8

Target

TARGET SERINE THREONINE KINASE AKT1 AKT2 AND AKT3

PDB
4GV1 (PKB ALPHA IN COMPLEX WITH AZD5363)

Download experimental 3D coordinates of 0XZ with added hydrogens

Download SDF file

4-Piperidinecarboxamide, 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)- (ACI)

Formula:
C21H25ClN6O2

Calculated chemical properties:

MW 428.92
NB_atoms 30
XLogP 2.15
PSA 104.57
NB_HD 5
NB_HA 8
fsp3 0.38
Lipinski(0=no;1=yes) 1

FDA
NDA 218197 (pdf not found) INN (CAPIVASERTIB) TRUQAP (ASTRAZENECA) APPROVAL= AP YEAR= 2023 NEWMOLECULARENTITY