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
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TEK receptor tyrosine kinase Hs Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.4x10-9 M) [1]
MET proto-oncogene, receptor tyrosine kinase Hs Inhibitor Inhibition 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.7x10-9 M) [1]
kinase insert domain receptor Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.2x10-9 M) [1]