|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
|
|
chemicalCompound:standardIn... |
WHBIGIKBNXZKFE-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(NS(=O)(=O)C)ccc4[nH]3
|
|
chemicalCompound:molecularF... |
C22H28N6O3S
|
|
chemicalCompound:moleculeId |
19573
|
|
chemicalCompound:mwFreebase |
456.561
|
|
chemicalCompound:alogp |
2.292
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
118.81
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
9.022
|
|
chemicalCompound:acdLogP |
3.534
|
|
chemicalCompound:acdLogD |
1.768
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
456.561
|
|
chemicalCompound:acdMostBpk... |
9.172
|
|
chemicalCompound:chemblId |
CHEMBL593
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DELAVIRDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1997
|
|
chemicalCompound:activity |
activity:42369,
activity:42370,
activity:42371,
activity:42372,
activity:42373,
activity:42374,
activity:42375,
activity:42376,
activity:42377,
activity:42378,
activity:42379,
activity:42380,
activity:42381,
activity:42382,
activity:42383,
activity:42384,
activity:42385,
activity:42386,
activity:42387,
activity:42388,
activity:42389,
activity:42390,
activity:42391,
activity:42392,
activity:54222,
activity:54223,
activity:54224,
activity:54225,
activity:54226,
activity:166024,
activity:228874,
activity:228875,
activity:228876,
activity:228877,
activity:228878,
activity:228879,
activity:228880,
activity:228881,
activity:228882,
activity:228883,
activity:228884,
activity:389057,
activity:389058,
activity:389059,
activity:389060,
activity:389061,
activity:389062,
activity:389063,
activity:389064,
activity:389065,
activity:389066,
activity:389067,
activity:445302,
activity:445303,
activity:445304,
activity:445305,
activity:445306,
activity:445307
|
