CHIR-265   Click here for help

GtoPdb Ligand ID: 5674

Synonyms: CHIR 265 | CHIR265 | RAF 265 | RAF-265 | RAF265
PDB Ligand
Compound class: Synthetic organic
Comment: CHIR-265 is an orally bioavailable inhibitor of RAF kinases, including the BRAF V600E mutant. It also inhibits phosphorylation of VEGFR2 [3] (link to this abstract at AACR Meeting Abstracts Online #4876).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 80.65
Molecular weight 518.13
XLogP 5.71
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F
Isomeric SMILES Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2c1ccc(c2)Oc1ccnc(c1)c1[nH]cc(n1)C(F)(F)F
InChI InChI=1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
InChI Key YABJJWZLRMPFSI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-methyl-5-({2-[4-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl}oxy)-N-[4-(trifluoromethyl)phenyl]-1H-1,3-benzodiazol-2-amine
Synonyms Click here for help
CHIR 265 | CHIR265 | RAF 265 | RAF-265 | RAF265
Database Links Click here for help
CAS Registry No. 927880-90-8
ChEMBL Ligand CHEMBL558752
GtoPdb PubChem SID 178102301
PubChem CID 11656518
RCSB PDB Ligand 55J
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SynPHARM 81173 (in complex with B-Raf proto-oncogene, serine/threonine kinase)

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Tocris
RAF 265
Cat. No. 6015