tesevatinib   Click here for help

GtoPdb Ligand ID: 7944

Synonyms: EXEL-7647 | KD-019 | XL-647 | XL647
Compound class: Synthetic organic
Comment: Tesevatinib (XL-647) is an orally bioavailable small-molecule receptor tyrosine kinase (RTK) inhibitor with broad spectrum activity againt EGFRs and VEGFRs [2], and which has pre-clinical antineoplastic potential [1]. The two CAS numbers associated with this compound (781613-23-8 and 651031-01-5) indicate a third chiral centre, however the structure shown here does not specify stereochemistry at this point.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 59.51
Molecular weight 490.13
XLogP 4.84
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(cc1OCC1CC3C(C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl
Isomeric SMILES COc1cc2c(cc1OCC1C[C@@H]3[C@H](C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl
InChI InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13?,14-,15+
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
10079 tesevatinib
Synonyms Click here for help
EXEL-7647 | KD-019 | XL-647 | XL647
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9646810
Reactome Reaction Reactome logo R-HSA-9652264, R-HSA-9665121, R-HSA-9665315
Other databases
CAS Registry No. 781613-23-8
GtoPdb PubChem SID 249565627
PubChem CID 10458325
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UniChem Compound Search for chemical match using the InChIKey HVXKQKFEHMGHSL-GOOCMWNKSA-N
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