loading...| Preferred Name |
imatinib |
|
| Synonyms |
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE STI 571 imatinib |
|
| Definitions |
A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45783 |
|
| charge |
0 |
|
| chemical has protein target as antagonist |
http://purl.obolibrary.org/obo/PR_P04629 http://purl.obolibrary.org/obo/PR_P10721 http://purl.obolibrary.org/obo/PR_Q08345 http://purl.obolibrary.org/obo/PR_P07333 |
|
| chemical inhibits in vitro invasion of virus | ||
| chemical inhibits protein | ||
| database_cross_reference |
PMID:19052981 PMID:23536338 PMID:19020005 PMID:15170967 PMID:23183914 PMID:19182535 PMID:23580311 PMID:15794712 PMID:15966213 PMID:18216472 Wikipedia:Imatinib PMID:18407734 PMID:15073101 PMID:22891806 PMID:17717205 PMID:19749465 PMID:14660054 PMID:23313020 PDBeChem:STI LINCS:LSM-1023 PMID:18337118 PMID:17457302 Patent:US5521184 PMID:19920908 PMID:16826359 PMID:17410337 PMID:19810774 PMID:19097599 PMID:18548219 PMID:23394269 PMID:18809244 PMID:19853594 PMID:15722647 PMID:16122278 PMID:19693287 PMID:23075630 KEGG:D08066 Beilstein:7671333 PMID:19591692 PMID:18420270 PMID:18423008 CAS:152459-95-5 HMDB:HMDB0014757 PMID:17190842 PMID:23587588 PMID:19415889 PMID:18193246 PMID:23503753 PMID:18623899 PMID:19077095 PMID:16983347 PMID:19527930 Reaxys:7671333 PMID:18376233 Drug_Central:1423 Patent:EP564409 PMID:23574742 DrugBank:DB00619 PMID:14715630 PMID:18780518 PMID:19242505 PMID:23480638 PMID:18344535 |
|
| definition source |
https://www.drugbank.ca/drugs/DB00619 PMID: 30711575 |
|
| formula |
C29H31N7O |
|
| has exact synonym |
4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 |
|
| has_alternative_id |
CHEBI:45781 CHEBI:305376 CHEBI:38918 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-toluidide 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE STI 571 imatinib |
|
| id |
CHEBI:45783 |
|
| imported from | ||
| in subset | ||
| 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 |
|
| label |
imatinib |
|
| mass |
493.60270 |
|
| monoisotopicmass |
493.25901 |
|
| notation |
CHEBI:45783 |
|
| prefLabel |
imatinib |
|
| smiles |
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 |
|
| textual definition |
A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33860 http://purl.obolibrary.org/obo/CHEBI_22702 http://purl.obolibrary.org/obo/CHEBI_26421 |
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