rivoceranib   Click here for help

GtoPdb Ligand ID: 7648

Synonyms: apatinib (in China) | YN968D1
Approved drug
rivoceranib is an approved drug (2014 (Chinese NMPA))
Compound class: Synthetic organic
Comment: Rivoceranib (a.k.a. apatinib) is an orally bioavailable, small-molecule multitargeted tyrosine kinase inhibitor, with substantial inhibitory action against vascular endothelial growth factor receptor-2, but it also inhibits c-Kit and c-SRC tyrosine kinases [4]. The drug is administered as the mesylate salt (PubChem CID 45139106). Its principal clinical effect is as an angiogenesis inhibitor.
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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 90.7
Molecular weight 397.19
XLogP 4.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
Isomeric SMILES N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1NCc1ccncc1
InChI InChI=1S/C24H23N5O/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30)
InChI Key WPEWQEMJFLWMLV-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (2014 (Chinese NMPA))
IUPAC Name Click here for help
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
International Nonproprietary Names Click here for help
INN number INN
10596 rivoceranib
Synonyms Click here for help
apatinib (in China) | YN968D1
Database Links Click here for help
CAS Registry No. 811803-05-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL3186534
DrugBank Ligand DB14765
GtoPdb PubChem SID 223365983
PubChem CID 11315474
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