CHEBI:85164 - nintedanib

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ChEBI Name nintedanib
ChEBI ID CHEBI:85164
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C31H33N5O4
Net Charge 0
Average Mass 539.62480
Monoisotopic Mass 539.253
InChI InChI=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-
InChIKey XZXHXSATPCNXJR-ZIADKAODSA-N
SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
vascular endothelial growth factor receptor antagonist
An antagonist at the vascular endothelial growth factor receptor.
fibroblast growth factor receptor antagonist
An antagonist at the fibroblast growth factor receptor.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor
An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
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ChEBI Ontology
Outgoing nintedanib (CHEBI:85164) has role angiogenesis inhibitor (CHEBI:48422)
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 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
nintedanib KEGG DRUG
Synonyms Sources
BIBF 1120 ChemIDplus
BIBF-1120 ChemIDplus
BIBF1120 ChemIDplus
Manual Xrefs Databases
4903 DrugCentral
D10481 KEGG DRUG
Nintedanib Wikipedia
XIN PDBeChem
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Registry Numbers Types Sources
12016593 Reaxys Registry Number Reaxys
656247-17-5 CAS Registry Number ChemIDplus
656247-17-5 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
24657398 PubMed citation Europe PMC
25299232 PubMed citation Europe PMC
25338318 PubMed citation Europe PMC
25430078 PubMed citation Europe PMC
25474320 PubMed citation Europe PMC
25478720 PubMed citation Europe PMC
25527450 PubMed citation Europe PMC
25534294 PubMed citation Europe PMC
25571784 PubMed citation Europe PMC
25745043 PubMed citation Europe PMC
Last Modified
22 February 2017