e-Drug3D

1863

ABEMACICLIB

INN
ABEMACICLIB

cas 1231929-97-7

CLASS

ANTINEOPLASTIC
TREATMENT OF ADVANCED OR METASTATIC BREAST CANCER
INHIBITOR OF CYCLIN-DEPENDENT KINASES 4 AND 6 (CDK4 AND CDK6)

ROUTE (list)

ORAL

ATC code

L01EF03

PK parameters

F 45 PERCENT (200 MILLIGRAM)
Tmax 8 HOUR
VD 690.3 LITER
PPB 96.3 PERCENT
t1/2 18.3 HOUR

Target

TARGET CYCLIN-DEPENDENT KINASES 4 AND 6 (CDK4 AND CDK6)

PDB
5L2S (THE X-RAY CO-CRYSTAL STRUCTURE OF HUMAN CDK6 AND ABEMACICLIB)

Ligand code = 6ZV (link to the list of PDB complexes)

Download experimental 3D coordinates of 6ZV with added hydrogens

DrugCentral

Cyclin-dependent kinase 6 UNIPROT Q00534 CDK6

Cyclin-dependent kinase 4 UNIPROT P11802 CDK4

Download SDF file

2-Pyrimidinamine, N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro-4-[4-fluoro-2-methyl-1-(1-methylethyl)-1H-benzimidazol-6-yl]-

Formula:
C27H32F2N8

Calculated chemical properties:

MW 506.61
NB_atoms 37
XLogP 4.94
PSA 64.265
NB_HD 1
NB_HA 8
fsp3 0.41
Lipinski(0=no;1=yes) 0

FDA
NDA 208716 (pdf not found) INN (ABEMACICLIB) VERZENIO (ELI LILLY AND CO) APPROVAL= AP YEAR= 2017
NDA 208855 (pdf not found) INN (ABEMACICLIB) VERZENIO (ELI LILLY AND CO) APPROVAL= AP YEAR= 2018 NEWAPPLICATION