altiratinib   Click here for help

GtoPdb Ligand ID: 9174

Synonyms: DCC-270 | DCC-2701 | DP-5164
Compound class: Synthetic organic
Comment: Altiratinib is an oral, selective and potent inhibitor of MET, TIE2, VEGFR2 and TRK kinases, being investigated for its potential anticancer activity. This specific compound is claimed in patent WO2016061231 [1], and prior patent submissions.
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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 11
Topological polar surface area 109.42
Molecular weight 510.15
XLogP 4.17
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Isomeric SMILES O=C(C1CC1)Nc1nccc(c1)Oc1cc(F)c(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
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
10100 altiratinib
Synonyms Click here for help
DCC-270 | DCC-2701 | DP-5164
Database Links Click here for help
CAS Registry No. 1345847-93-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545365
GtoPdb PubChem SID 315661257
PubChem CID 54576299
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