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CHEBI:52172 - nilotinib
| Formula | C28H22F3N7O |
| Net Charge | 0 |
| Average Mass | 529.526 |
| Monoisotopic Mass | 529.18379 |
| SMILES | Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1 |
| InChI | InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) |
| InChIKey | HHZIURLSWUIHRB-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nilotinib (CHEBI:52172) has role anticoronaviral agent (CHEBI:149553) |
| nilotinib (CHEBI:52172) has role antineoplastic agent (CHEBI:35610) |
| nilotinib (CHEBI:52172) has role tyrosine kinase inhibitor (CHEBI:38637) |
| nilotinib (CHEBI:52172) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| nilotinib (CHEBI:52172) is a imidazoles (CHEBI:24780) |
| nilotinib (CHEBI:52172) is a pyridines (CHEBI:26421) |
| nilotinib (CHEBI:52172) is a pyrimidines (CHEBI:39447) |
| nilotinib (CHEBI:52172) is a secondary amino compound (CHEBI:50995) |
| nilotinib (CHEBI:52172) is a secondary carboxamide (CHEBI:140325) |
| IUPAC Name |
|---|
| 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide |
| INNs | Source |
|---|---|
| nilotinib | WHO MedNet |
| nilotinibum | WHO MedNet |
| nilotinib | WHO MedNet |
| nilotinib | WHO MedNet |
| Synonyms | Source |
|---|---|
| AMN107 | ChemIDplus |
| AMN 107 | ChemIDplus |
| AMN107 | ChEBI |
| UniProt Name | Source |
|---|---|
| nilotinib | UniProt |
| Citations |
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