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CHEBI:31690 - imatinib methanesulfonate
| Formula | C29H31N7O.CH4O3S |
| Net Charge | 0 |
| Average Mass | 589.722 |
| Monoisotopic Mass | 589.24712 |
| SMILES | CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 |
| InChI | InChI=1S/C29H31N7O.CH4O3S/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;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4) |
| InChIKey | YLMAHDNUQAMNNX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| 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. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. anti-asthmatic agent Any compound that has anti-asthmatic effects. hypoglycemic agent A drug which lowers the blood glucose level. antifibrotic agent Any agent which acts to reduce fibrosis. antiparasitic agent A substance used to treat or prevent parasitic infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| imatinib methanesulfonate (CHEBI:31690) has part imatinib (CHEBI:45783) |
| imatinib methanesulfonate (CHEBI:31690) has role anti-anaemic agent (CHEBI:75835) |
| imatinib methanesulfonate (CHEBI:31690) has role anti-asthmatic agent (CHEBI:65023) |
| imatinib methanesulfonate (CHEBI:31690) has role anticoronaviral agent (CHEBI:149553) |
| imatinib methanesulfonate (CHEBI:31690) has role antifibrotic agent (CHEBI:233423) |
| imatinib methanesulfonate (CHEBI:31690) has role antihypertensive agent (CHEBI:35674) |
| imatinib methanesulfonate (CHEBI:31690) has role antineoplastic agent (CHEBI:35610) |
| imatinib methanesulfonate (CHEBI:31690) has role antiparasitic agent (CHEBI:35442) |
| imatinib methanesulfonate (CHEBI:31690) has role antiviral agent (CHEBI:22587) |
| imatinib methanesulfonate (CHEBI:31690) has role apoptosis inducer (CHEBI:68495) |
| imatinib methanesulfonate (CHEBI:31690) has role hypoglycemic agent (CHEBI:35526) |
| imatinib methanesulfonate (CHEBI:31690) has role immunosuppressive agent (CHEBI:35705) |
| imatinib methanesulfonate (CHEBI:31690) has role tyrosine kinase inhibitor (CHEBI:38637) |
| imatinib methanesulfonate (CHEBI:31690) is a methanesulfonate salt (CHEBI:38037) |
| IUPAC Name |
|---|
| 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate |
| INN | Source |
|---|---|
| imatinib mesilate | DrugBank |
| Synonyms | Source |
|---|---|
| Imatinib accord | ChEMBL |
| Imatinib (as mesilate) | ChEMBL |
| Imatinib medac | ChEMBL |
| imatinib mesylate | ChEMBL |
| imatinib mesylate | KEGG DRUG |
| Imatinib methane sulfonate | ChEMBL |
| Brand Names | Source |
|---|---|
| Gleevec | DrugBank |
| Glivec | DrugBank |
| Imatinib actavis | ChEMBL |
| Imatinib koanaa | ChEMBL |
| Imatinib teva | ChEMBL |
| Imatinib teva b.v. | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| D01441 | KEGG DRUG |
| DB00619 | DrugBank |
| HMDB0014757 | HMDB |
| RU2365587 | Patent |
| WO2004106326 | Patent |
| WO2011161689 | Patent |
| WO9903854 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10229624 | Reaxys |
| CAS:220127-57-1 | KEGG DRUG |
| CAS:220127-57-1 | ChemIDplus |
| Citations |
|---|