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 4.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (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®
Comments
Nintedanib is a kinase inhibitor, targeting three arms of proangiogenic signalling via VEGFRs, PDGFR and FGFR [2].
Database Links
CAS Registry No. 656247-17-5
ChEMBL Ligand CHEMBL502835
GtoPdb PubChem SID 178102559
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
Search PubMed titles 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