|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
|
|
chemicalCompound:standardIn... |
ZEUITGRIYCTCEM-KRWDZBQOSA-N
|
|
chemicalCompound:canonicalS... |
CNCC[C@H](Oc1cccc2ccccc12)c3cccs3
|
|
chemicalCompound:molecularF... |
C18H19NOS
|
|
chemicalCompound:moleculeId |
192908
|
|
chemicalCompound:mwFreebase |
297.415
|
|
chemicalCompound:alogp |
3.846
|
|
chemicalCompound:hba |
2
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
49.5
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.809
|
|
chemicalCompound:acdLogD |
2.313
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
297.415
|
|
chemicalCompound:acdMostBpk... |
10.019
|
|
chemicalCompound:chemblId |
CHEMBL1175
|
|
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... |
Yes
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DULOXETINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:652280,
activity:652281,
activity:652282,
activity:652283,
activity:652284,
activity:652285,
activity:662615,
activity:662616,
activity:662617,
activity:1454567,
activity:1454568,
activity:1454569,
activity:1617662,
activity:1617663,
activity:1617664,
activity:1753692,
activity:1753716,
activity:1753742,
activity:1755257,
activity:1755279,
activity:1755301,
activity:2020842,
activity:2020861,
activity:2020880,
activity:2020899,
activity:2020911,
activity:2020957,
activity:2020976,
activity:2100180,
activity:2100220,
activity:2100261,
activity:2163922,
activity:2163923,
activity:2163924,
activity:2265484,
activity:2265485,
activity:2265486,
activity:2397254,
activity:2397258,
activity:2397361,
activity:2400052,
activity:2483369,
activity:2483387,
activity:2483405,
activity:2522735,
activity:2522762,
activity:2522786,
activity:2674398,
activity:2674440,
activity:2674482,
activity:2674524,
activity:2674536,
activity:2714723,
activity:2714748,
activity:2714749,
activity:2714760,
activity:2714782,
activity:2714804,
activity:2714826,
activity:2714827
|
