CEP-32496

Ligand id: 7880

Name: CEP-32496

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 5.43
No. Lipinski's rules broken 1

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
Synonyms
AC013773 | CEP 32496 | CEP32496
Database Links
CAS Registry No. 1188910-76-0
ChEMBL Ligand CHEMBL2029988
PubChem CID 56846693
Search Google for chemical match using the InChIKey DKNUPRMJNUQNHR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DKNUPRMJNUQNHR
Search UniChem for chemical match using the InChIKey DKNUPRMJNUQNHR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DKNUPRMJNUQNHR
Comments
The discovery and synthesis of CEP-32496 is described in [1] where it is compound 40. CEP-32496 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].