|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H
|
|
chemicalCompound:standardIn... |
XXPDBLUZJRXNNZ-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CC(CN1c2ccccc2Sc3ccccc13)N(C)C
|
|
chemicalCompound:molecularF... |
C17H21ClN2S
|
|
chemicalCompound:moleculeId |
674701
|
|
chemicalCompound:mwFreebase |
284.419
|
|
chemicalCompound:alogp |
4.39
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
31.78
|
|
chemicalCompound:rtb |
3
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.887
|
|
chemicalCompound:acdLogD |
3.404
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
320.88
|
|
chemicalCompound:acdMostBpk... |
8.985
|
|
chemicalCompound:chemblId |
CHEMBL1200750
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PROMETHAZINE HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:3473363,
activity:3481241,
activity:3484668,
activity:3484754,
activity:3484832,
activity:3484899,
activity:3485685,
activity:3485773,
activity:3635135,
activity:3640114,
activity:3696192,
activity:3779980,
activity:3789814,
activity:3861966,
activity:3944433,
activity:3989063,
activity:4032748,
activity:4129745,
activity:4278737,
activity:4358527,
activity:4409347,
activity:4415237,
activity:4421093,
activity:4518781,
activity:4536037,
activity:4538368,
activity:4545918,
activity:4749889,
activity:4867721,
activity:4933787,
activity:4970387,
activity:5065076,
activity:5316317,
activity:5316742,
activity:5364711,
activity:5498887,
activity:5570018,
activity:5616124,
activity:5697483,
activity:5729938,
activity:5808666,
activity:5851071,
activity:5855624,
activity:5866918,
activity:6557465,
activity:6827413,
activity:7005047,
activity:7022471,
activity:7047057,
activity:7059226,
activity:7072707,
activity:7141206,
activity:7224258,
activity:7491005,
activity:7492733,
activity:7502040,
activity:7514117,
activity:7516471,
activity:7517409,
activity:7525415,
activity:7527430
|
