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CHEBI:45783 - imatinib
| Formula | C29H31N7O |
| Net Charge | 0 |
| Average Mass | 493.615 |
| Monoisotopic Mass | 493.25901 |
| SMILES | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChI | InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) |
| InChIKey | KTUFNOKKBVMGRW-UHFFFAOYSA-N |
| Wikipedia |
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| 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: | apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antiviral agent A substance that destroys or inhibits replication of viruses. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| Applications: | hepatoprotective agent Any compound that is able to prevent damage to the liver. antirheumatic drug A drug used to treat rheumatoid arthritis. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| imatinib (CHEBI:45783) has functional parent benzamide (CHEBI:28179) |
| imatinib (CHEBI:45783) has role antihypertensive agent (CHEBI:35674) |
| imatinib (CHEBI:45783) has role antimalarial (CHEBI:38068) |
| imatinib (CHEBI:45783) has role antimicrobial agent (CHEBI:33281) |
| imatinib (CHEBI:45783) has role antineoplastic agent (CHEBI:35610) |
| imatinib (CHEBI:45783) has role antirheumatic drug (CHEBI:35842) |
| imatinib (CHEBI:45783) has role antitubercular agent (CHEBI:33231) |
| imatinib (CHEBI:45783) has role antiviral agent (CHEBI:22587) |
| imatinib (CHEBI:45783) has role apoptosis inducer (CHEBI:68495) |
| imatinib (CHEBI:45783) has role hepatoprotective agent (CHEBI:62868) |
| imatinib (CHEBI:45783) has role tyrosine kinase inhibitor (CHEBI:38637) |
| imatinib (CHEBI:45783) is a N-methylpiperazine (CHEBI:46920) |
| imatinib (CHEBI:45783) is a aromatic amine (CHEBI:33860) |
| imatinib (CHEBI:45783) is a benzamides (CHEBI:22702) |
| imatinib (CHEBI:45783) is a pyridines (CHEBI:26421) |
| imatinib (CHEBI:45783) is a pyrimidines (CHEBI:39447) |
| Incoming Relation(s) |
| linkable imatinib analogue (CHEBI:39083) has functional parent imatinib (CHEBI:45783) |
| imatinib methanesulfonate (CHEBI:31690) has part imatinib (CHEBI:45783) |
| IUPAC Name |
|---|
| 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide |
| INN | Source |
|---|---|
| imatinib | ChemIDplus |
| Synonyms | Source |
|---|---|
| 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE | PDBeChem |
| Glamox | ChEMBL |
| NSC-743414 | ChEMBL |
| NSC-759854 | ChEMBL |
| STI 571 | ChemIDplus |
| α-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7671333 | Reaxys |
| Beilstein:7671333 | Beilstein |
| CAS:152459-95-5 | ChemIDplus |
| Citations |
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