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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (2014 (Chinese NMPA))
IUPAC Name Click here for help
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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UniChem Compound Search for chemical match using the InChIKey WPEWQEMJFLWMLV-UHFFFAOYSA-N
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