CHEBI:85170 - nintedanib esylate

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ChEBI Name nintedanib esylate
Definition An organosulfonate salt obtained by combining nintedanib with one molar equivalent of ethanesulfonic acid. A kinase inhibitor used for the treatment of idiopathic pulmonary fibrosis and cancer.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C33H39N5O7S
Net Charge 0
Average Mass 649.75700
Monoisotopic Mass 649.25702
InChI InChI=1S/C31H33N5O4.C2H6O3S/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;1-2-6(3,4)5/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2H2,1H3,(H,3,4,5)/b29-28-;
SMILES CCS(O)(=O)=O.COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
Roles Classification
Biological Role(s): fibroblast growth factor receptor antagonist
An antagonist at the fibroblast growth factor receptor.
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.
Application(s): 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.
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ChEBI Ontology
Outgoing nintedanib esylate (CHEBI:85170) has part nintedanib(1+) (CHEBI:85172)
nintedanib esylate (CHEBI:85170) has role angiogenesis inhibitor (CHEBI:48422)
nintedanib esylate (CHEBI:85170) has role antineoplastic agent (CHEBI:35610)
nintedanib esylate (CHEBI:85170) has role fibroblast growth factor receptor antagonist (CHEBI:63457)
nintedanib esylate (CHEBI:85170) has role tyrosine kinase inhibitor (CHEBI:38637)
nintedanib esylate (CHEBI:85170) has role vascular endothelial growth factor receptor antagonist (CHEBI:65207)
nintedanib esylate (CHEBI:85170) is a organosulfonate salt (CHEBI:64382)
methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate ethanesulfonate
Synonym Source
Nintedanib ethanesulfonate KEGG DRUG
Brand Name Source
Ofev ChEBI
Manual Xref Database
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Registry Numbers Types Sources
14300928 Reaxys Registry Number Reaxys
656247-18-6 CAS Registry Number ChemIDplus
656247-18-6 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
25430078 PubMed citation Europe PMC
25628503 PubMed citation Europe PMC
Last Modified
10 March 2015