The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	(S)-citalopram
Synonyms	C20H21FN2O escitalopram (S)-citalopram S(+)-citalopram (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile S-(+)-citalopram
ID	http://purl.obolibrary.org/obo/CHEBI_36791
AHFScode	28:16.04.20
ATCCode	N06AB10
binds	http://purl.obolibrary.org/obo/dinto_2714 http://purl.obolibrary.org/obo/dinto_3343 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0068 http://purl.obolibrary.org/obo/dinto_3182 http://purl.obolibrary.org/obo/dinto_1071 http://purl.obolibrary.org/obo/dinto_0234 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
blocks	http://purl.obolibrary.org/obo/dinto_3182 http://purl.obolibrary.org/obo/dinto_1071 http://purl.obolibrary.org/obo/dinto_0234
CASRN	128196-01-0
DBBrand	lexapro cipralex
DBname	escitalopram
DBSynonym	escitalopram oxalate
Definition	A citalopram that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.
has pharmacological target	http://purl.obolibrary.org/obo/dinto_2714
has role	http://purl.obolibrary.org/obo/CHEBI_35469
InChI	InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1
InChIKey	InChIKey=WSEQXVZVJXJVFP-FQEVSTJZSA-N
inhibits	http://purl.obolibrary.org/obo/dinto_2714 http://purl.obolibrary.org/obo/dinto_3343 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0068
is metabolised by	http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
is substrate of	http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0291 http://purl.obolibrary.org/obo/dinto_0901
label	(S)-citalopram
may interact with	http://purl.obolibrary.org/obo/CHEBI_8212 http://purl.obolibrary.org/obo/CHEBI_32250 http://purl.obolibrary.org/obo/CHEBI_9943 http://purl.obolibrary.org/obo/CHEBI_32221 http://purl.obolibrary.org/obo/CHEBI_8499 http://purl.obolibrary.org/obo/CHEBI_520985 http://purl.obolibrary.org/obo/CHEBI_156095 http://purl.obolibrary.org/obo/dinto_DB00726 http://purl.obolibrary.org/obo/CHEBI_68595 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/CHEBI_51364 http://purl.obolibrary.org/obo/CHEBI_7852 http://purl.obolibrary.org/obo/CHEBI_48273 http://purl.obolibrary.org/obo/CHEBI_10650 http://purl.obolibrary.org/obo/CHEBI_7478 http://purl.obolibrary.org/obo/CHEBI_3441 http://purl.obolibrary.org/obo/dinto_DB00780 http://purl.obolibrary.org/obo/CHEBI_72014 http://purl.obolibrary.org/obo/CHEBI_9654 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB00427 http://purl.obolibrary.org/obo/CHEBI_10119 http://purl.obolibrary.org/obo/CHEBI_6904 http://purl.obolibrary.org/obo/CHEBI_50861 http://purl.obolibrary.org/obo/dinto_DB01247 http://purl.obolibrary.org/obo/dinto_DB00752 http://purl.obolibrary.org/obo/CHEBI_63607 http://purl.obolibrary.org/obo/CHEBI_9588 http://purl.obolibrary.org/obo/dinto_DB01105 http://purl.obolibrary.org/obo/CHEBI_63620 http://purl.obolibrary.org/obo/dinto_DB01037 http://purl.obolibrary.org/obo/CHEBI_6128 http://purl.obolibrary.org/obo/CHEBI_10124 http://purl.obolibrary.org/obo/CHEBI_50922 http://purl.obolibrary.org/obo/dinto_DB01381 http://purl.obolibrary.org/obo/CHEBI_195280 http://purl.obolibrary.org/obo/dinto_DB00998 http://purl.obolibrary.org/obo/dinto_DB00976 http://purl.obolibrary.org/obo/dinto_DB06700
modulates	http://purl.obolibrary.org/obo/dinto_3182 http://purl.obolibrary.org/obo/dinto_1071 http://purl.obolibrary.org/obo/dinto_0234
prefixIRI	obo2:CHEBI_36791
prefLabel	(S)-citalopram
SMILES	CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 CN(C)CCC[C@]1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
Synonym	C20H21FN2O escitalopram (S)-citalopram S(+)-citalopram (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile S-(+)-citalopram
xref	PubChem Compound:146570 ChEBI:36791 CASRN:128196-01-0 Beilstein:9001444 Wikipedia:Escitalopram Drugs Product Database (DPD):2263238 PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/lex1642.shtml PharmGKB:PA10074 Wikipedia:http://en.wikipedia.org/wiki/Escitalopram National Drug Code Directory:0456-2005-01 Drugs.com:http://www.drugs.com/cdi/escitalopram.html PubChem Substance:46507040 ChEMBL:521007 ChemSpider:129277 DrugBank:DB01175 RxList:http://www.rxlist.com/cgi/generic/lexapro.htm
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_36791	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	PDRO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	CCONT	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	BIOMODELS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	NIFSTD	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	ECTO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	EFO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	OBA	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_36791	BIOMODELS	LOOM