1248731

Source:http://linkedlifedata.com/resource/chembl/compound/1248731

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:1248731_Afinitor_TRADE_NAME, synonym:1248731_Everolimus_INN, synonym:1248731_Everolimus_USAN, synonym:1248731_Zortress_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1
chemicalCompound:standardIn...	HKVAMNSJSFKALM-GKUWKFKPSA-N
chemicalCompound:canonicalS...	CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(/C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(/C)\[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)OC)CC[C@H]1OCCO
chemicalCompound:molecularF...	C53H83NO14
chemicalCompound:moleculeId	1248731
chemicalCompound:mwFreebase	958.224
chemicalCompound:alogp	6.164
chemicalCompound:hba	14
chemicalCompound:hbd	3
chemicalCompound:psa	204.65
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.398
chemicalCompound:acdLogP	4.182
chemicalCompound:acdLogD	4.182
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	958.224
chemicalCompound:chemblId	CHEMBL1908360
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1348731
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	EVEROLIMUS
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:6074495