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CHEBI:85164 - nintedanib

ChEBI IDCHEBI:85164
ChEBI Namenintedanib
Stars
DefinitionA member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
Last Modified3 February 2025
SubmitterSteve
DownloadsMolfile
FormulaC31H33N5O4
Net Charge0
Average Mass539.636
Monoisotopic Mass539.25325
SMILESCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
InChIInChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-
InChIKeyXZXHXSATPCNXJR-ZIADKAODSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
fibroblast growth factor receptor antagonist  An antagonist at the fibroblast growth factor receptor.
vascular endothelial growth factor receptor antagonist  An antagonist at the vascular endothelial growth factor receptor.
tyrosine kinase inhibitor  Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Applications:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifibrotic agent  Any agent which acts to reduce fibrosis.
ChEBI Ontology
Outgoing Relation(s)
nintedanib (CHEBI:85164) has role angiogenesis inhibitor (CHEBI:48422)
nintedanib (CHEBI:85164) has role antifibrotic agent (CHEBI:233423)
nintedanib (CHEBI:85164) has role antineoplastic agent (CHEBI:35610)
nintedanib (CHEBI:85164) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
nintedanib (CHEBI:85164) has role tyrosine kinase inhibitor (CHEBI:38637)
nintedanib (CHEBI:85164) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
nintedanib (CHEBI:85164) is a N-alkylpiperazine (CHEBI:46845)
nintedanib (CHEBI:85164) is a aromatic amide (CHEBI:62733)
nintedanib (CHEBI:85164) is a aromatic amine (CHEBI:33860)
nintedanib (CHEBI:85164) is a aromatic ester (CHEBI:62732)
nintedanib (CHEBI:85164) is a enamine (CHEBI:47989)
nintedanib (CHEBI:85164) is a methyl ester (CHEBI:25248)
nintedanib (CHEBI:85164) is a oxindoles (CHEBI:38459)
nintedanib (CHEBI:85164) is conjugate base of nintedanib(1+) (CHEBI:85172)
Incoming Relation(s)
nintedanib(1+) (CHEBI:85172) is conjugate acid of nintedanib (CHEBI:85164)
IUPAC Name 
methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
INN  Source
nintedanibKEGG DRUG
Synonyms  Source
BIBF1120ChemIDplus
BIBF-1120ChemIDplus
BIBF 1120ChemIDplus
Manual XrefsDatabases
D10481KEGG DRUG
XINPDBeChem
NintedanibWikipedia
4903DrugCentral
Registry NumbersSources
Reaxys:12016593Reaxys
CAS:656247-17-5KEGG DRUG
CAS:656247-17-5ChemIDplus
Citations