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CHEBI:85164 - nintedanib
| Formula | C31H33N5O4 |
| Net Charge | 0 |
| Average Mass | 539.636 |
| Monoisotopic Mass | 539.25325 |
| SMILES | COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. 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. antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | 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. 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 antiviral agent (CHEBI:22587) |
| 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 |
|---|---|
| nintedanib | KEGG DRUG |
| Synonyms | Source |
|---|---|
| BIBF 1120 | ChemIDplus |
| BIBF-1120 | ChemIDplus |
| BIBF1120 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Nintedanib component of ofev | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| 4903 | DrugCentral |
| D10481 | KEGG DRUG |
| Nintedanib | Wikipedia |
| XIN | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:12016593 | Reaxys |
| CAS:656247-17-5 | KEGG DRUG |
| CAS:656247-17-5 | ChemIDplus |
| Citations |
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