e-Drug3D

1800

COBIMETINIB

INN
COBIMETINIB

cas 934660-93-2

CLASS

ANTINEOPLASTIC
TREATMENT OF UNRESECTABLE OR METASTATIC MELANOMA WITH A BRAF V600E OR V600K MUTATION IN COMBINATION WITH VEMURAFENIB
MAPK KINASE INHIBITOR
MEK1 AND MEK2 INHIBITOR

ROUTE (list)

ORAL

ATC code

L01EE02

PK parameters

F 46 PERCENT
Tmax 2.4 HOUR
VD 806 LITER
Cl 13.8 LITER / HOUR
PPB 95 PERCENT
t1/2 44 HOUR

Target

TARGET MAPK
MEK1
MEK2

PDB
4AN2 (CRYSTAL STRUCTURES OF HUMAN MEK1 WITH CARBOXAMIDE-BASED ALLOSTERIC INHIBITOR XL518 (GDC-0973), OR RELATED ANALOGS.)

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

Download experimental 3D coordinates of EUI with added hydrogens

DrugCentral

Dual specificity mitogen-activated protein kinase kinase 1 UNIPROT Q02750 MAP2K1

Download SDF file

Methanone, [3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2S)-2-piperidinyl-1-azetidinyl]-

Formula:
C21H21F3IN3O2

Calculated chemical properties:

MW 531.31
NB_atoms 30
XLogP 3.78
PSA 64.304
NB_HD 3
NB_HA 5
fsp3 0.38
Lipinski(0=no;1=yes) 0

FDA
NDA 206192 (pdf not found) INN (COBIMETINIB FUMARATE) COTELLIC (GENENTECH INC) APPROVAL= AP YEAR= 2015 NEWMOLECULARENTITY