675044

Source:http://linkedlifedata.com/resource/chembl/compound/675044

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:624125
chemicalCompound:synonym	synonym:675044_Methyl Aminolevulinate Hydrochloride_USAN, synonym:675044_P-1202_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
chemicalCompound:standardIn...	UJYSYPVQHFNBML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COC(=O)CCC(=O)CN
chemicalCompound:molecularF...	C6H12ClNO3
chemicalCompound:moleculeId	675044
chemicalCompound:mwFreebase	145.156
chemicalCompound:alogp	-0.995
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	69.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.704
chemicalCompound:acdLogD	-0.898
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	181.617
chemicalCompound:acdMostBpk...	7.153
chemicalCompound:chemblId	CHEMBL1201093
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775044
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	METHYL AMINOLEVULINATE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:60641
chemicalCompound:firstAppro...	2004
chemicalCompound:activity	activity:3645516, activity:3706901, activity:4697960, activity:5640967, activity:6625424