e-Drug3D

1533

VISMODEGIB

INN
VISMODEGIB

cas 879085-55-9

CLASS

ANTINEOPLASTIC AGENTS
HEDGEHOG SIGNALING PATHWAY INHIBITOR

ROUTE (list)

ORAL

ATC code

L01XJ01

PK parameters

F 31.8 PERCENT (150 MILLIGRAM)
VD 21.5 LITER (150 MILLIGRAM)
Cl 0.15 LITER / HOUR (EQN)
PPB 99 PERCENT
t1/2 96 HOUR

Solubility

0.1 MICROGRAM / MILLILITER AT PH 7

Target

TARGET SMOOTHENED TRANSMEMBRANE PROTEIN (IC50 = 7 NANOMOLAR) PMID22268551

PDB
5L7I (STRUCTURE OF HUMAN SMOOTHENED IN COMPLEX WITH VISMODEGIB)

Download experimental 3D coordinates of VIS with added hydrogens

Smoothened homolog UNIPROT Q99835 SMO

Download SDF file

2-Chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide

Formula:
C19H14Cl2N2O3S

Calculated chemical properties:

MW 421.29
NB_atoms 27
XLogP 4.71
PSA 65.668
NB_HD 1
NB_HA 5
fsp3 0.05
Lipinski(0=no;1=yes) 1

FDA
NDA 203388 (pdf not found) INN (VISMODEGIB) ERIVEDGE (GENENTECH) APPROVAL= AP YEAR= 2012