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
SMILES / InChI / InChIKey
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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)
InChI Key GNNDEPIMDAZHRQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-N'-[4-[2-(cyclopropanecarbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
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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