nintedanib

Ligand id: 5936

Name: nintedanib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 94.22
Molecular weight 539.25
XLogP 4.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2014))
IUPAC Name
methyl (3Z)-3-[({4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]phenyl}amino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
International Nonproprietary Names
INN number INN
9229 nintedanib
Synonyms
BIBF-1120 | BIBF1120 | Ofev® | Vargatef®
Database Links
CAS Registry No. 656247-17-5
ChEMBL Ligand CHEMBL502835
PubChem CID 9809715
RCSB PDB Ligand XIN
Search Google for chemical match using the InChIKey XZXHXSATPCNXJR-ZIADKAODSA-N
Search Google for chemicals with the same backbone XZXHXSATPCNXJR
Search PubMed clinical trials nintedanib
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Search UniChem for chemical match using the InChIKey XZXHXSATPCNXJR-ZIADKAODSA-N
Search UniChem for chemicals with the same backbone XZXHXSATPCNXJR
SynPHARM 79677 (in complex with kinase insert domain receptor)
Wikipedia Nintedanib
Comments
Nintedanib is an kinase inhibitor, targeting three arms of proangiogenic signalling via VEGFRs, PDGFR and FGFR [2].