12957

Source:http://linkedlifedata.com/resource/chembl/compound/12957

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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:12957_Ketotifen_BAN, synonym:12957_Ketotifen_FDA_ALTERNATIVE_NAME, synonym:12957_Ketotifen_INN, synonym:12957_Ketotifen_USAN, synonym:12957_Zaditor_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
chemicalCompound:standardIn...	ZCVMWBYGMWKGHF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3ccccc3CC(=O)c4sccc24)CC1
chemicalCompound:molecularF...	C19H19NOS
chemicalCompound:moleculeId	12957
chemicalCompound:mwFreebase	309.425
chemicalCompound:alogp	3.768
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	48.55
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.192
chemicalCompound:acdLogD	0.744
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	309.425
chemicalCompound:acdMostBpk...	8.843
chemicalCompound:chemblId	CHEMBL534
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:112957
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	KETOTIFEN
chemicalCompound:firstAppro...	2006
chemicalCompound:activity	activity:156054, activity:472588, activity:472589, activity:472590, activity:472591, activity:472592, activity:472593, activity:595437, activity:595438, activity:595439, activity:595440, activity:595441, activity:595442, activity:642591, activity:642592, activity:642593, activity:769187, activity:769188, activity:769189, activity:769190, activity:769191, activity:809406, activity:809407, activity:809408, activity:809409, activity:876354, activity:876355, activity:876356, activity:876357, activity:876358, activity:876359, activity:876360, activity:876361, activity:876362, activity:876363, activity:876364, activity:876365, activity:876366, activity:876367, activity:876368, activity:876369, activity:876370, activity:876371, activity:950450, activity:950451, activity:950452, activity:1034658, activity:1034659, activity:1034660, activity:1034661, activity:1034662, activity:1034663, activity:1034664, activity:1034665, activity:1034666, activity:1063699, activity:1067761, activity:1067762, activity:1067763, activity:1262099