136161

Source:http://linkedlifedata.com/resource/chembl/compound/136161

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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:136161_CI-1008_RESEARCH_CODE, synonym:136161_Lyrica_TRADE_NAME, synonym:136161_PD-144723_RESEARCH_CODE, synonym:136161_Pregabalin_FDA_ALTERNATIVE_NAME, synonym:136161_Pregabalin_INN, synonym:136161_Pregabalin_USAN
chemicalCompound:standardIn...	InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
chemicalCompound:standardIn...	AYXYPKUFHZROOJ-ZETCQYMHSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](CN)CC(=O)O
chemicalCompound:molecularF...	C8H17NO2
chemicalCompound:moleculeId	136161
chemicalCompound:mwFreebase	159.226
chemicalCompound:alogp	-1.593
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	63.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.228
chemicalCompound:acdLogP	1.089
chemicalCompound:acdLogD	-1.411
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	159.226
chemicalCompound:acdMostBpk...	11.308
chemicalCompound:chemblId	CHEMBL1059
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:236161
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	PREGABALIN
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:194915, activity:194916, activity:459336, activity:459337, activity:459338, activity:459339, activity:459340, activity:459341, activity:459342, activity:459343, activity:459344, activity:459345, activity:1498893, activity:1498894, activity:1498895, activity:1498896, activity:1498897, activity:1505575, activity:1505576, activity:1505577, activity:1505578, activity:1505579, activity:1505580, activity:1710297, activity:1710306, activity:1710313, activity:1710319, activity:1742246, activity:1742248, activity:1742338, activity:2590423, activity:2590436, activity:2590440, activity:2590443, activity:2590446, activity:2590448, activity:2590450, activity:2590453, activity:2590456, activity:2590459, activity:2590462, activity:2590465, activity:3077078, activity:3077079, activity:3264530, activity:3266209, activity:6174886, activity:6174887, activity:6174888, activity:6174889, activity:6174890, activity:6174891, activity:6174892, activity:6174893, activity:6200940, activity:6201805, activity:6212088, activity:6278291