axitinib

Ligand id: 5659

Name: axitinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 95.97
Molecular weight 386.12
XLogP 5.77
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2012))
IUPAC Name
N-methyl-2-({3-[(E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide
International Nonproprietary Names
INN number INN
8720 axitinib
Synonyms
AG 013736 | AG-013736 | AG013736 | Inlyta®
Database Links
CAS Registry No. 319460-85-0
ChEMBL Ligand CHEMBL1289926
DrugBank Ligand DB06626
GtoPdb PubChem SID 178102287
PubChem CID 6450551
RCSB PDB Ligand AXI
Search Google for chemical match using the InChIKey RITAVMQDGBJQJZ-FMIVXFBMSA-N
Search Google for chemicals with the same backbone RITAVMQDGBJQJZ
Search PubMed clinical trials axitinib
Search PubMed titles axitinib
Search PubMed titles/abstracts axitinib
Search UniChem for chemical match using the InChIKey RITAVMQDGBJQJZ-FMIVXFBMSA-N
Search UniChem for chemicals with the same backbone RITAVMQDGBJQJZ
SynPHARM 78759 (in complex with kinase insert domain receptor)
81169 (in complex with kinase insert domain receptor)
Wikipedia Axitinib
Comments
Axitinib is a Type-1 kinase inhibitor. Axitinib inhibits several receptor tyrosine kinases including VEGFR-1, VEGFR-2, VEGFR-3, platelet derived growth factor receptor (PDGFR), and cKIT.