153342

Source:http://linkedlifedata.com/resource/chembl/compound/153342

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:153342_Alosetron_FDA_ALTERNATIVE_NAME, synonym:153342_Alosetron_INN, synonym:153342_Lotronex_OTHER
chemicalCompound:standardIn...	InChI=1S/C17H18N4O/c1-11-13(19-10-18-11)9-21-8-7-15-16(17(21)22)12-5-3-4-6-14(12)20(15)2/h3-6,10H,7-9H2,1-2H3,(H,18,19)
chemicalCompound:standardIn...	JSWZEAMFRNKZNL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc[nH]c1CN2CCc3c(C2=O)c4ccccc4n3C
chemicalCompound:molecularF...	C17H18N4O
chemicalCompound:moleculeId	153342
chemicalCompound:mwFreebase	294.351
chemicalCompound:alogp	1.654
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	53.92
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.893
chemicalCompound:acdLogD	1.738
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	294.351
chemicalCompound:acdMostBpk...	7.004
chemicalCompound:chemblId	CHEMBL1110
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253342
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ALOSETRON
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:253342
chemicalCompound:firstAppro...	2000
chemicalCompound:activity	activity:1031111, activity:1523696, activity:2060251, activity:2295035, activity:2295146, activity:2358263, activity:3523728, activity:3523743, activity:3523752, activity:3523763, activity:3523773, activity:3523782, activity:3557526, activity:5079762, activity:5080976, activity:5081295, activity:5081556, activity:5082773, activity:5125663, activity:5125672, activity:5125683, activity:5125694, activity:5125698, activity:5125702, activity:5126806, activity:5126807, activity:5126808, activity:5126809, activity:5126810, activity:6074377, activity:7628183, activity:7628184, activity:7628185, activity:7628186, activity:7628187, activity:7628188, activity:7628189, activity:7628190, activity:7628191, activity:7628192, activity:7628193, activity:7628194, activity:7628195, activity:7628196, activity:7628197, activity:7628198, activity:7628199, activity:7628200, activity:7628201, activity:7628202, activity:7628203, activity:7628204, activity:7628205, activity:7628206, activity:7628207, activity:7628208, activity:7628209, activity:7628210, activity:7628211, activity:7628212, activity:7629415