924

Source:http://linkedlifedata.com/resource/chembl/compound/924

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:924_FK-506_RESEARCH_CODE, synonym:924_FR-900506_RESEARCH_CODE, synonym:924_Prograf_TRADE_NAME, synonym:924_Protopic_TRADE_NAME, synonym:924_Tacrolimus Hydrate_JAN, synonym:924_Tacrolimus_BAN, synonym:924_Tacrolimus_INN, synonym:924_Tacrolimus_USAN
chemicalCompound:standardIn...	InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1
chemicalCompound:standardIn...	QJJXYPPXXYFBGM-LFZNUXCKSA-N
chemicalCompound:canonicalS...	CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC
chemicalCompound:molecularF...	C44H69NO12
chemicalCompound:moleculeId	924
chemicalCompound:mwFreebase	804.018
chemicalCompound:alogp	4.832
chemicalCompound:hba	12
chemicalCompound:hbd	3
chemicalCompound:psa	178.35
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.965
chemicalCompound:acdLogP	4.785
chemicalCompound:acdLogD	4.784
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	804.018
chemicalCompound:chemblId	CHEMBL269732
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100924
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	Yes
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TACROLIMUS
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:61049
chemicalCompound:firstAppro...	1993
chemicalCompound:activity	activity:188123, activity:188124, activity:224698, activity:224699, activity:224700, activity:224701, activity:224702, activity:224703, activity:258745, activity:625090, activity:625091, activity:625092, activity:625093, activity:625094, activity:625095, activity:625096, activity:658629, activity:658630, activity:658631, activity:658632, activity:664451, activity:681076, activity:873240, activity:975302, activity:975303, activity:975304, activity:975305, activity:975306, activity:975307, activity:975308, activity:975309, activity:975310, activity:975311, activity:1007850, activity:1007851, activity:1007852, activity:1007853, activity:1007854, activity:1007855, activity:1007856, activity:1007857, activity:1007858, activity:1007859, activity:1013127, activity:1013128, activity:1013129, activity:1013130, activity:1013131, activity:1013132, activity:1013133, activity:1013134, activity:1086804, activity:1086805, activity:1086806, activity:1154836, activity:1188828