The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_45783 http://purl.obolibrary.org/obo/CHEBI_45783
Preferred Name	imatinib
Synonyms	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 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide STI 571 imatinib N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide C29H31N7O
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	imatinib
label	imatinib
DBSynonym	cgp-57148b imatinib methansulfonate glivec sti-571
ATCCode	L01XE01
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.
altId	CHEBI:45781 CHEBI:38918 CHEBI:305376
has effect	http://purl.obolibrary.org/obo/OAE_0000238 http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000879 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000785 http://purl.obolibrary.org/obo/OAE_0000449 http://purl.obolibrary.org/obo/OAE_0000901 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0001373 http://purl.obolibrary.org/obo/OAE_0000303 http://purl.obolibrary.org/obo/OAE_0000838 http://purl.obolibrary.org/obo/OAE_0000557 http://purl.obolibrary.org/obo/OAE_0001154 http://purl.obolibrary.org/obo/OAE_0001098 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0001259 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000630 http://purl.obolibrary.org/obo/OAE_0000479 http://purl.obolibrary.org/obo/OAE_0001744 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0001046 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0001509 http://purl.obolibrary.org/obo/OAE_0001167 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000801 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000415 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000210 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000021 http://purl.obolibrary.org/obo/OAE_0000967 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000359 http://purl.obolibrary.org/obo/OAE_0000197 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000979 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000984 http://purl.obolibrary.org/obo/OAE_0000207 http://purl.obolibrary.org/obo/OAE_0000920 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000287 http://purl.obolibrary.org/obo/OAE_0000632 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000300 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0001062 http://purl.obolibrary.org/obo/OAE_0001275 http://purl.obolibrary.org/obo/OAE_0000943 http://purl.obolibrary.org/obo/OAE_0001101 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0000327 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0001515 http://purl.obolibrary.org/obo/OAE_0001190 http://purl.obolibrary.org/obo/OAE_0001068 http://purl.obolibrary.org/obo/OAE_0001374 http://purl.obolibrary.org/obo/OAE_0001142 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0001341 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0001129 http://purl.obolibrary.org/obo/OAE_0000643 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000341 http://purl.obolibrary.org/obo/OAE_0000894 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0001281 http://purl.obolibrary.org/obo/OAE_0000414 http://purl.obolibrary.org/obo/OAE_0000607 http://purl.obolibrary.org/obo/OAE_0000355 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000344 http://purl.obolibrary.org/obo/OAE_0001276 http://purl.obolibrary.org/obo/OAE_0001202 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000866 http://purl.obolibrary.org/obo/OAE_0000329 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000780 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000306 http://purl.obolibrary.org/obo/OAE_0001205 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000185 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0000487 http://purl.obolibrary.org/obo/OAE_0000336 http://purl.obolibrary.org/obo/OAE_0000779 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001030 http://purl.obolibrary.org/obo/OAE_0001291 http://purl.obolibrary.org/obo/OAE_0001345 http://purl.obolibrary.org/obo/OAE_0001001 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000211 http://purl.obolibrary.org/obo/OAE_0000466 http://purl.obolibrary.org/obo/OAE_0000358 http://purl.obolibrary.org/obo/OAE_0001309 http://purl.obolibrary.org/obo/OAE_0001170 http://purl.obolibrary.org/obo/OAE_0000618 http://purl.obolibrary.org/obo/OAE_0000456 http://purl.obolibrary.org/obo/OAE_0000885 http://purl.obolibrary.org/obo/OAE_0001364 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0001298 http://purl.obolibrary.org/obo/OAE_0000350 See more See less
DBSalt	imatinib mesylate
has pharmacological target	http://purl.obolibrary.org/obo/dinto_0376 http://purl.obolibrary.org/obo/dinto_0039 http://purl.obolibrary.org/obo/dinto_0355
inhibits	http://purl.obolibrary.org/obo/dinto_0929 http://purl.obolibrary.org/obo/dinto_1979 http://purl.obolibrary.org/obo/dinto_1970 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_0039 http://purl.obolibrary.org/obo/dinto_1956 http://purl.obolibrary.org/obo/dinto_0355 See more See less
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_38637 http://purl.obolibrary.org/obo/CHEBI_68495
InChIKey	InChIKey=KTUFNOKKBVMGRW-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1956 http://purl.obolibrary.org/obo/dinto_0938 See more See less
blocks	http://purl.obolibrary.org/obo/dinto_1681 http://purl.obolibrary.org/obo/dinto_2271 http://purl.obolibrary.org/obo/dinto_2270 http://purl.obolibrary.org/obo/dinto_4298 http://purl.obolibrary.org/obo/dinto_0376 http://purl.obolibrary.org/obo/dinto_1246 See more See less
AHFScode	10:00.00 92:00.00
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 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide STI 571 imatinib N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide C29H31N7O See more See less
xref	CiteXplore:18780518 CiteXplore:19020005 CiteXplore:23580311 CiteXplore:19920908 DrugBank:DB00619 KEGG DRUG:D08066 CiteXplore:19810774 CiteXplore:15966213 CiteXplore:16983347 CiteXplore:19591692 National Drug Code Directory:0078-0401-34 CiteXplore:19242505 Beilstein:7671333 CiteXplore:18623899 CASRN:152459-95-5 RxList:http://www.rxlist.com/cgi/generic3/gleevec.htm CiteXplore:19077095 Drugs.com:http://www.drugs.com/cdi/imatinib.html ChEMBL:188797 CiteXplore:18407734 CiteXplore:23587588 CiteXplore:15170967 CiteXplore:14715630 PubChem Substance:46505055 BindingDB:13530 CiteXplore:18216472 ChEBI:45783 PDB:STI CiteXplore:19052981 CiteXplore:23183914 PDBeChem:STI CiteXplore:18337118 PharmGKB:PA10804 CiteXplore:23075630 CiteXplore:23574742 CiteXplore:18420270 CiteXplore:16122278 HMDB:HMDB14757 PubChem Compound:5291 CiteXplore:17190842 CiteXplore:18193246 CiteXplore:18376233 Patent:US5521184 CiteXplore:18809244 CiteXplore:19527930 Patent:EP564409 CiteXplore:18423008 CiteXplore:15073101 CiteXplore:19415889 CiteXplore:19853594 CiteXplore:14660054 CiteXplore:17410337 CiteXplore:19693287 CiteXplore:23503753 Reaxys:7671333 CiteXplore:15722647 CiteXplore:18344535 CiteXplore:19182535 CiteXplore:17717205 Wikipedia:Imatinib CiteXplore:18548219 CiteXplore:17457302 CiteXplore:23313020 Wikipedia:http://en.wikipedia.org/wiki/Imatinib CiteXplore:23394269 CiteXplore:23480638 ChemSpider:5101 CiteXplore:19097599 CiteXplore:22891806 CiteXplore:15794712 CiteXplore:19749465 Drugs Product Database (DPD):2253283 CiteXplore:16826359 CiteXplore:23536338 See more See less
CASRN	152459-95-5
prefixIRI	obo2:CHEBI_45783
is transported by	http://purl.obolibrary.org/obo/dinto_1970 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_1886 http://purl.obolibrary.org/obo/dinto_1440
is substrate of	http://purl.obolibrary.org/obo/dinto_3582 http://purl.obolibrary.org/obo/dinto_0217
related with	http://purl.obolibrary.org/obo/dinto_0376
SMILES	CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 CN1CCN(CC2=CC=C(C=C2)C(=O)NC2=CC(NC3=NC=CC(=N3)C3=CN=CC=C3)=C(C)C=C2)CC1
may interact with	http://purl.obolibrary.org/obo/dinto_DB00906 http://purl.obolibrary.org/obo/CHEBI_8212 http://purl.obolibrary.org/obo/CHEBI_41879 http://purl.obolibrary.org/obo/CHEBI_32250 http://purl.obolibrary.org/obo/CHEBI_9948 http://purl.obolibrary.org/obo/CHEBI_9943 http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_4317 http://purl.obolibrary.org/obo/CHEBI_71940 http://purl.obolibrary.org/obo/CHEBI_41774 http://purl.obolibrary.org/obo/dinto_DB00541 http://purl.obolibrary.org/obo/CHEBI_4888 http://purl.obolibrary.org/obo/CHEBI_499361 http://purl.obolibrary.org/obo/CHEBI_10127 http://purl.obolibrary.org/obo/CHEBI_4031 http://purl.obolibrary.org/obo/CHEBI_61049 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_9150 http://purl.obolibrary.org/obo/dinto_DB00532 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/dinto_DB06287 http://purl.obolibrary.org/obo/CHEBI_53766 http://purl.obolibrary.org/obo/CHEBI_63632 http://purl.obolibrary.org/obo/CHEBI_40303 http://purl.obolibrary.org/obo/CHEBI_133809 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/CHEBI_3558 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00570 http://purl.obolibrary.org/obo/CHEBI_7565 http://purl.obolibrary.org/obo/CHEBI_9654 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB01558 http://purl.obolibrary.org/obo/CHEBI_75988 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_39548 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_480999 http://purl.obolibrary.org/obo/CHEBI_9622 http://purl.obolibrary.org/obo/CHEBI_9398 http://purl.obolibrary.org/obo/CHEBI_10033 http://purl.obolibrary.org/obo/CHEBI_32315 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/CHEBI_4513 http://purl.obolibrary.org/obo/dinto_DB00072 http://purl.obolibrary.org/obo/CHEBI_31739 http://purl.obolibrary.org/obo/dinto_DB01320 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 http://purl.obolibrary.org/obo/CHEBI_70735 http://purl.obolibrary.org/obo/CHEBI_46295 http://purl.obolibrary.org/obo/dinto_DB00976 http://purl.obolibrary.org/obo/CHEBI_46195 See more See less
DBname	imatinib
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)
DBBrand	gleevec
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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