420985

Source:http://linkedlifedata.com/resource/chembl/compound/420985

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:420985_Almotriptan_BAN, synonym:420985_Almotriptan_FDA_ALTERNATIVE_NAME, synonym:420985_Almotriptan_INN, synonym:420985_Almotriptan_USAN, synonym:420985_Axert_TRADE_NAME, synonym:420985_LAS-31416_RESEARCH_CODE
chemicalCompound:standardIn...	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
chemicalCompound:standardIn...	WKEMJKQOLOHJLZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
chemicalCompound:molecularF...	C17 H25 N3 O2 S
chemicalCompound:moleculeId	420985
chemicalCompound:mwFreebase	335.464
chemicalCompound:alogp	2.103
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	64.79
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.301
chemicalCompound:acdLogD	0.399
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	335.464
chemicalCompound:acdMostBpk...	9.483
chemicalCompound:chemblId	CHEMBL1505
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520985
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ALMOTRIPTAN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:520985
chemicalCompound:firstAppro...	2001
chemicalCompound:activity	activity:2060252, activity:2671365, activity:2671366, activity:3641554, activity:5080450, activity:5081596, activity:5082010, activity:5082198, activity:5082789, activity:5170292, activity:7839027, activity:7839028, activity:7839029, activity:7839030, activity:7839031, activity:7839032, activity:7839033, activity:7839034, activity:7839035, activity:7839036, activity:7839037, activity:7839038, activity:7839039, activity:7839040