agerafenib

Ligand id: 7880

Name: agerafenib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 120.63
Molecular weight 517.16
XLogP 4.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
International Nonproprietary Names
INN number INN
10367 agerafenib
Synonyms
AC013773 | CEP 32496 | CEP-32496 | CEP32496 | RXDX-105
Comments
The discovery and synthesis of agerafenib (CEP-32496) is described in [2] where it is compound 40. Agerafenib is an orally bioavailable B-Raf proto-oncogene, serine/threonine kinase (BRAF) inhibitor with potential antineoplastic activity, which selectively inhibits the activity of the mutated form (V600E) of BRAF kinase [1-2].
Database Links
CAS Registry No. 1188910-76-0
ChEMBL Ligand CHEMBL2029988
GtoPdb PubChem SID 223366209
PubChem CID 56846693
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