e-Drug3D

2158

AVUTOMETINIB

INN
AVUTOMETINIB

cas 946128-88-7

CLASS

ANTINEOPLASTIC
MEK1 KINASE INHIBITOR
TREATMENT OF OVARIAN CANCER

ROUTE (list)

ORAL

ATC code

PK parameters

Tmax 2 HOUR
VD 25 LITER
Cl 0.3 LITER / HOUR
PPB 99 PERCENT
t1/2 51 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET MEK1
ERK1

PDB
3WIG (HUMAN MEK1 KINASE IN COMPLEX WITH CH5126766 AND MGAMP-PNP)

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

Download experimental 3D coordinates of CHU with added hydrogens

DrugCentral

Download SDF file

Sulfamide, N-[3-fluoro-4-[[4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl]methyl]-2-pyridinyl]-N-methyl- (ACI)

Formula:
C21H18FN5O5S

Calculated chemical properties:

MW 471.47
NB_atoms 33
XLogP 2.68
PSA 124.719
NB_HD 2
NB_HA 10
fsp3 0.14
Lipinski(0=no;1=yes) 1

FDA
NDA 219616 (label) INN (AVUTOMETINIB POTASSIUM ; DEFACTINIB HYDROCHLORIDE) AVMAPKI FAKZYNJA CO-PACK COPACKAGED (VERASTEM INC) APPROVAL= AP YEAR= 2025 NEWMOLECULARENTITY