11305

Source:http://linkedlifedata.com/resource/chembl/compound/11305

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:11305_Vorinostat_INN, synonym:11305_Vorinostat_USAN, synonym:11305_Zolinza_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
chemicalCompound:standardIn...	WAEXFXRVDQXREF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	ONC(=O)CCCCCCC(=O)Nc1ccccc1
chemicalCompound:molecularF...	C14H20N2O3
chemicalCompound:moleculeId	11305
chemicalCompound:mwFreebase	264.32
chemicalCompound:alogp	2.005
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	78.43
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.483
chemicalCompound:acdLogP	2.342
chemicalCompound:acdLogD	2.338
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	264.32
chemicalCompound:acdMostBpk...	0.502
chemicalCompound:chemblId	CHEMBL98
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:111305
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	VORINOSTAT
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:45716
chemicalCompound:firstAppro...	2006
chemicalCompound:activity	activity:41899, activity:41900, activity:105726, activity:105727, activity:105728, activity:105729, activity:105730, activity:105731, activity:134954, activity:140399, activity:140400, activity:140401, activity:152684, activity:152685, activity:152686, activity:152687, activity:152688, activity:152689, activity:152690, activity:173433, activity:173434, activity:173435, activity:173436, activity:496125, activity:663152, activity:663153, activity:663154, activity:745602, activity:745603, activity:745604, activity:745605, activity:825991, activity:825992, activity:825993, activity:831485, activity:831486, activity:831487, activity:831488, activity:831489, activity:848801, activity:848802, activity:848803, activity:848804, activity:862709, activity:940430, activity:1109383, activity:1173128, activity:1183282, activity:1267047, activity:1267048, activity:1267049, activity:1277868, activity:1277869, activity:1277870, activity:1277871, activity:1290244, activity:1290245, activity:1302981, activity:1302982, activity:1302983