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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
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
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
Search Google for chemical match using the InChIKey QFCXANHHBCGMAS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QFCXANHHBCGMAS
Search PubMed clinical trials telatinib
Search PubMed titles telatinib
Search PubMed titles/abstracts telatinib
UniChem Compound Search for chemical match using the InChIKey QFCXANHHBCGMAS-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QFCXANHHBCGMAS-UHFFFAOYSA-N