telatinib   Click here for help

GtoPdb Ligand ID: 10476

Synonyms: BAY 57-9352 | Bay-57-9352 | BAY-579352 | BAY579352 | example 14 [WO2001023375A2]
Compound class: Synthetic organic
Comment: Telatinib (BAY-579352) is an orally available VEGFR2/3 and PDGFRβ receptor tyrosine kinase inhibitor that exhibits potent anti-angiogenic activity which translates to anti-tumour efficacy in vitro and in vivo. The chemical structure of telatinib is claimed in Bayer's patent WO2001023375A2 (as example 14) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 102.17
Molecular weight 409.09
XLogP 2.87
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl
Isomeric SMILES CNC(=O)c1nccc(c1)COc1nnc(c2c1occ2)Nc1ccc(cc1)Cl
InChI InChI=1S/C20H16ClN5O3/c1-22-19(27)16-10-12(6-8-23-16)11-29-20-17-15(7-9-28-17)18(25-26-20)24-14-4-2-13(21)3-5-14/h2-10H,11H2,1H3,(H,22,27)(H,24,25)
InChI Key QFCXANHHBCGMAS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[4-(4-chloroanilino)furo[2,3-d]pyridazin-7-yl]oxymethyl]-N-methylpyridine-2-carboxamide
International Nonproprietary Names Click here for help
INN number INN
8795 telatinib
Synonyms Click here for help
BAY 57-9352 | Bay-57-9352 | BAY-579352 | BAY579352 | example 14 [WO2001023375A2]
Database Links Click here for help
BindingDB Ligand 50399538
CAS Registry No. 332012-40-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL2079588
GtoPdb PubChem SID 385612235
PubChem CID 9808844
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