belvarafenib   Click here for help

GtoPdb Ligand ID: 11544

Synonyms: Example 116 [WO2013100632A1] | GDC-5573 | HM95573 | RG6185
PDB Ligand
Compound class: Synthetic organic
Comment: Belvarafenib is a clinical stage, oral RAF kinase inhibitor that is being developed in a collaboration between Genentech and Hanmi Pharmaceuticals. The chemical structure is one of those claimed in Hanmi patent WO2013100632A1 [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 134.06
Molecular weight 478.08
XLogP 4.36
No. Lipinski's rules broken 0
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Canonical SMILES Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl
Isomeric SMILES Cc1ccc2c(c1NC(=O)c1csc3c1ncnc3N)ccnc2Nc1cccc(c1F)Cl
InChI InChI=1S/C23H16ClFN6OS/c1-11-5-6-13-12(7-8-27-22(13)30-16-4-2-3-15(24)17(16)25)18(11)31-23(32)14-9-33-20-19(14)28-10-29-21(20)26/h2-10H,1H3,(H,27,30)(H,31,32)(H2,26,28,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10471 belvarafenib
Synonyms Click here for help
Example 116 [WO2013100632A1] | GDC-5573 | HM95573 | RG6185
Database Links Click here for help
BindingDB Ligand 185591
CAS Registry No. 446113-23-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL3977543
GtoPdb PubChem SID 441604916
PubChem CID 89655386
Search Google for chemical match using the InChIKey KVCQTKNUUQOELD-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KVCQTKNUUQOELD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KVCQTKNUUQOELD-UHFFFAOYSA-N