The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

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Preferred Name	almotriptan
Synonyms	almotriptan C17H25N3O2S N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
ID	http://purl.obolibrary.org/obo/CHEBI_520985
activates	http://purl.obolibrary.org/obo/dinto_2858 http://purl.obolibrary.org/obo/dinto_3332
AHFScode	28:32.28
ATCCode	N02CC05
CASRN	181183-52-8
DBBrand	almogran axert
DBname	almotriptan
Definition	An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position.
has effect	http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000081 http://purl.obolibrary.org/obo/OAE_0000236 http://purl.obolibrary.org/obo/OAE_0001045 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000198 http://purl.obolibrary.org/obo/OAE_0000596 http://purl.obolibrary.org/obo/OAE_0000406 http://purl.obolibrary.org/obo/OAE_0000561 http://purl.obolibrary.org/obo/OAE_0000825 http://purl.obolibrary.org/obo/OAE_0000443 http://purl.obolibrary.org/obo/OAE_0000308 http://purl.obolibrary.org/obo/OAE_0000611 http://purl.obolibrary.org/obo/OAE_0000567 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0000412 http://purl.obolibrary.org/obo/OAE_0000317 http://purl.obolibrary.org/obo/OAE_0000333 http://purl.obolibrary.org/obo/OAE_0001051 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0000677 http://purl.obolibrary.org/obo/OAE_0000281 http://purl.obolibrary.org/obo/OAE_0000365 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0000527 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0001538 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000340 http://purl.obolibrary.org/obo/OAE_0000518 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_0000947 http://purl.obolibrary.org/obo/OAE_0000517 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000502 http://purl.obolibrary.org/obo/OAE_0000084 http://purl.obolibrary.org/obo/OAE_0000312 http://purl.obolibrary.org/obo/OAE_0001050 http://purl.obolibrary.org/obo/OAE_0001200 http://purl.obolibrary.org/obo/OAE_0001295 http://purl.obolibrary.org/obo/OAE_0000400 http://purl.obolibrary.org/obo/OAE_0000086 http://purl.obolibrary.org/obo/OAE_0000586 http://purl.obolibrary.org/obo/OAE_0000645 http://purl.obolibrary.org/obo/OAE_0000842 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000533 http://purl.obolibrary.org/obo/OAE_0000473 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_0000525 http://purl.obolibrary.org/obo/OAE_0000038 http://purl.obolibrary.org/obo/OAE_0000968 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000166 http://purl.obolibrary.org/obo/OAE_0002122 http://purl.obolibrary.org/obo/OAE_0000460 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0000401 http://purl.obolibrary.org/obo/OAE_0000343 http://purl.obolibrary.org/obo/OAE_0000505 http://purl.obolibrary.org/obo/OAE_0000022 http://purl.obolibrary.org/obo/OAE_0000385 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0000470 http://purl.obolibrary.org/obo/OAE_0000296 http://purl.obolibrary.org/obo/OAE_0000394 http://purl.obolibrary.org/obo/OAE_0000242 http://purl.obolibrary.org/obo/OAE_0000462 http://purl.obolibrary.org/obo/OAE_0000766 http://purl.obolibrary.org/obo/OAE_0000402 http://purl.obolibrary.org/obo/OAE_0000350
has role	http://purl.obolibrary.org/obo/CHEBI_35941 http://purl.obolibrary.org/obo/CHEBI_35475 http://purl.obolibrary.org/obo/CHEBI_50514
InChI	InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
InChIKey	InChIKey=WKEMJKQOLOHJLZ-UHFFFAOYSA-N
is metabolised by	http://purl.obolibrary.org/obo/dinto_2651 http://purl.obolibrary.org/obo/dinto_3613 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1221 http://purl.obolibrary.org/obo/dinto_2048
label	almotriptan
may interact with	http://purl.obolibrary.org/obo/CHEBI_32250 http://purl.obolibrary.org/obo/CHEBI_9943 http://purl.obolibrary.org/obo/CHEBI_36791 http://purl.obolibrary.org/obo/CHEBI_7936 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_584020 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/dinto_DB00780 http://purl.obolibrary.org/obo/CHEBI_681850 http://purl.obolibrary.org/obo/CHEBI_9654 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_5138 http://purl.obolibrary.org/obo/CHEBI_3723 http://purl.obolibrary.org/obo/dinto_DB01247 http://purl.obolibrary.org/obo/dinto_DB00752 http://purl.obolibrary.org/obo/dinto_DB01105 http://purl.obolibrary.org/obo/CHEBI_9123 http://purl.obolibrary.org/obo/dinto_DB00353 http://purl.obolibrary.org/obo/CHEBI_10124 http://purl.obolibrary.org/obo/CHEBI_4822 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/dinto_DB01287 http://purl.obolibrary.org/obo/CHEBI_64318 http://purl.obolibrary.org/obo/CHEBI_4562 http://purl.obolibrary.org/obo/CHEBI_5118 http://purl.obolibrary.org/obo/dinto_DB06700
prefixIRI	obo2:CHEBI_520985
prefLabel	almotriptan
SMILES	CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 CN(C)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2
Synonym	almotriptan C17H25N3O2S N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine 1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine
xref	ChemSpider:110198 KEGG DRUG:D02824 Wikipedia:Almotriptan Drugs Product Database (DPD):2248128 Patent:WO942460 ChEBI:520985 RxList:http://www.rxlist.com/cgi/generic2/almotriptan.htm Drugs.com:http://www.drugs.com/cdi/almotriptan.html ChEMBL:17870541 PubChem Substance:46505165 Wikipedia:http://en.wikipedia.org/wiki/Almotriptan DrugBank:DB00918 Beilstein:8789271 CASRN:154323-57-6 Patent:US5565447 PubChem Compound:123606 National Drug Code Directory:0062-2080-06 PharmGKB:PA10246
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_520985	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_520985	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_520985	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_520985	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_520985	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_520985	CHEBI	LOOM
http://www.phoc.org.cn/pmo/class/PMO_00026600	PMAPP-PMO	LOOM
https://go.drugbank.com/drugs/DB00918	MDM	LOOM
http://purl.obolibrary.org/obo/CHEBI_520985	PDRO	LOOM
http://purl.obolibrary.org/obo/CHEBI_520985	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_520985	BIOMODELS	LOOM
http://purl.obolibrary.org/obo/CHEBI_520985	DRON	LOOM
http://purl.bioontology.org/ontology/VANDF/4021269	VANDF	LOOM
http://purl.bioontology.org/ontology/ATC/N02CC05	ATC	LOOM
http://purl.obolibrary.org/obo/NCIT_C65224	BERO	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0914729	OCHV	LOOM
http://www.co-ode.org/ontologies/galen#Almotriptan	GALEN	LOOM
http://purl.bioontology.org/ontology/RXNORM/279645	RXNORM	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/363569003	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148709	NDFRT	LOOM
http://www.drugbank.ca/drugs/DB00918	FTC	LOOM
http://purl.obolibrary.org/obo/DRON_00018348	ODNAE	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65224	NCIT	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#52324	OCHV	LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C409045	RH-MESH	LOOM
http://purl.bioontology.org/ontology/MESH/C409045	MESH	LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148709	ODAE	LOOM