e-Drug3D

1509

VANDETANIB

INN
VANDETANIB

cas 443913-73-3

CLASS

ANTINEOPLASTIC
PROTEIN KINASE INHIBITORS
TYROSINE KINASE
MEDULLARY THYROID CANCER

ROUTE (list)

ORAL

ATC code

L01EX04

PK parameters

VD 7450 LITER
Cl 13.2 LITER / HOUR (300 MILLIGRAM)
PPB 90 PERCENT
t1/2 456 HOUR

Solubility

IS PRACTICALLY INSOLUBLE IN WATER WITH A VALUE OF 0.008 MILLIGRAM / MILLILITER AT 25 DEGRE CELSIUS

Target

TARGET EGFR
VEGF
PROTEIN TYROSINE KINASE 6 (BRK)
TIE2
EPH RECEPTORS KINASE FAMILY
SRC FAMILY

PDB
2IVU (CRYSTAL STRUCTURE OF PHOSPHORYLATED RET TYROSINE KINASE DOMAIN COMPLEXED WITH THE INHIBITOR ZD6474)

Download experimental 3D coordinates of ZD6 with added hydrogens

Epidermal growth factor receptor UNIPROT P00533 EGFR

Proto-oncogene tyrosine-protein kinase receptor Ret UNIPROT P07949 RET

Download SDF file

4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methyl-4-piperidinyl)methoxy]-

Formula:
C22H24BrFN4O2

Calculated chemical properties:

MW 475.35
NB_atoms 30
XLogP 5.00
PSA 55.277
NB_HD 1
NB_HA 6
fsp3 0.36
Lipinski(0=no;1=yes) 1

FDA
NDA 022405 (label) INN (VANDETANIB) CAPRELSA (GENZYME CORP) APPROVAL= AP YEAR= 2011 NEWMOLECULARENTITY