2355

Source:http://linkedlifedata.com/resource/chembl/compound/2355

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:2355_GNF-PF-5448_RESEARCH_CODE, synonym:2355_Mepacrine_INN
chemicalCompound:standardIn...	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
chemicalCompound:standardIn...	GPKJTRJOBQGKQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13
chemicalCompound:molecularF...	C23H30ClN3O
chemicalCompound:moleculeId	2355
chemicalCompound:mwFreebase	399.957
chemicalCompound:alogp	5.666
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	37.39
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.592
chemicalCompound:acdLogD	2.293
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	399.957
chemicalCompound:acdMostBpk...	10.471
chemicalCompound:chemblId	CHEMBL7568
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102355
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	QUINACRINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8711
chemicalCompound:activity	activity:60279, activity:60280, activity:113542, activity:113543, activity:113544, activity:113545, activity:113546, activity:113547, activity:270019, activity:321893, activity:321894, activity:370017, activity:383646, activity:383647, activity:413175, activity:445460, activity:445461, activity:445462, activity:445463, activity:499936, activity:499937, activity:499938, activity:499939, activity:559812, activity:559813, activity:559814, activity:831752, activity:841579, activity:862771, activity:862772, activity:862773, activity:862774, activity:862775, activity:862776, activity:862777, activity:862778, activity:862779, activity:862780, activity:862781, activity:862782, activity:862783, activity:862784, activity:862785, activity:1021843, activity:1021844, activity:1021845, activity:1046978, activity:1046979, activity:1046980, activity:1046981, activity:1046982, activity:1046983, activity:1046984, activity:1075798, activity:1075799, activity:1082918, activity:1120278, activity:1120279, activity:1230744, activity:1230745, activity:1235578, activity:1296291, activity:1296292