rivoceranib   Click here for help

GtoPdb Ligand ID: 7648

Synonyms: apatinib (in China) | YN968D1
Approved drug
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.
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 6
Topological polar surface area 90.7
Molecular weight 383.17
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
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 Click here for help
Compound class Synthetic organic
Approved drug? Yes (2014 (Chinese FDA))
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
Search Google for chemical match using the InChIKey FPIBJQNUNVMOQY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FPIBJQNUNVMOQY
Search PubMed clinical trials rivoceranib
Search PubMed titles rivoceranib
Search PubMed titles/abstracts rivoceranib
Search UniChem for chemical match using the InChIKey FPIBJQNUNVMOQY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FPIBJQNUNVMOQY