loading...| Preferred Name |
nintedanib |
|
| Synonyms |
methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate BIBF1120 nintedanib BIBF 1120 BIBF-1120 |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85164 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:12016593 KEGG:D10481 PMID:25745043 PMID:25478720 PDBeChem:XIN PMID:25527450 PMID:25571784 PMID:25534294 Drug_Central:4903 PMID:24657398 PMID:25299232 PMID:25338318 Wikipedia:Nintedanib PMID:25430078 PMID:25474320 CAS:656247-17-5 |
|
| 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. |
|
| formula |
C31H33N5O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_63457 http://purl.obolibrary.org/obo/CHEBI_38637 |
|
| has_exact_synonym |
methyl (3Z)-3-[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}anilino)(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
BIBF1120 nintedanib BIBF 1120 BIBF-1120 |
|
| id |
CHEBI:85164 |
|
| in_subset | ||
| 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 |
|
| is conjugate base of | ||
| label |
nintedanib |
|
| mass |
539.62480 |
|
| monoisotopicmass |
539.25325 |
|
| notation |
CHEBI:85164 |
|
| prefLabel |
nintedanib |
|
| smiles |
COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_38459 http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_47989 http://purl.obolibrary.org/obo/CHEBI_62733 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 http://purl.obolibrary.org/obo/CHEBI_38459 http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_47989 http://purl.obolibrary.org/obo/CHEBI_62733 |