rivoceranib   

GtoPdb Ligand ID: 7648

Synonyms: apatinib (in China) | YN968D1
rivoceranib is an approved drug (2014 (Chinese FDA))
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 [3]. The drug is administered as the mesylate salt (PubChem CID 45139106). Its principal clinical effect is as an angiogenesis inhibitor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 90.7
Molecular weight 383.17
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1Nc1cccnc1
Isomeric SMILES N#CC1(CCCC1)c1ccc(cc1)NC(=O)c1cccnc1Nc1cccnc1
InChI InChI=1S/C23H21N5O/c24-16-23(11-1-2-12-23)17-7-9-18(10-8-17)28-22(29)20-6-4-14-26-21(20)27-19-5-3-13-25-15-19/h3-10,13-15H,1-2,11-12H2,(H,26,27)(H,28,29)
InChI Key FPIBJQNUNVMOQY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (2014 (Chinese FDA))
IUPAC Name
N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
International Nonproprietary Names
INN number INN
10596 rivoceranib
Synonyms
apatinib (in China) | YN968D1
Database Links
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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