|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:29890_Arthrotec_OTHER,
synonym:29890_Cambia_TRADE_NAME,
synonym:29890_Cataflam_OTHER,
synonym:29890_Diclofenac_FDA_ALTERNATIVE_NAME,
synonym:29890_Diclofenac_INN,
synonym:29890_Solaraze_OTHER,
synonym:29890_Voltaren Ophthalmic_TRADE_NAME,
synonym:29890_Voltaren XR_TRADE_NAME,
synonym:29890_Voltaren-XR_OTHER,
synonym:29890_Voltaren_OTHER,
synonym:29890_Voltaren_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
|
|
chemicalCompound:standardIn... |
DCOPUUMXTXDBNB-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl
|
|
chemicalCompound:molecularF... |
C14H11Cl2NO2
|
|
chemicalCompound:moleculeId |
29890
|
|
chemicalCompound:mwFreebase |
296.149
|
|
chemicalCompound:alogp |
4.373
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
49.33
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
4.176
|
|
chemicalCompound:acdLogP |
4.548
|
|
chemicalCompound:acdLogD |
1.437
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
296.149
|
|
chemicalCompound:chemblId |
CHEMBL139
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DICLOFENAC
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1988
|
|
chemicalCompound:activity |
activity:100053,
activity:100054,
activity:100055,
activity:100056,
activity:100057,
activity:100058,
activity:200891,
activity:238804,
activity:238805,
activity:238806,
activity:238807,
activity:238808,
activity:238809,
activity:238810,
activity:238811,
activity:238812,
activity:343361,
activity:343362,
activity:439112,
activity:506733,
activity:506734,
activity:550258,
activity:550259,
activity:550260,
activity:550261,
activity:550262,
activity:550263,
activity:659967,
activity:659968,
activity:659969,
activity:659970,
activity:659971,
activity:659972,
activity:659973,
activity:659974,
activity:659975,
activity:659976,
activity:659977,
activity:778203,
activity:778204,
activity:778205,
activity:869913,
activity:869914,
activity:869915,
activity:869916,
activity:1069866,
activity:1082118,
activity:1082119,
activity:1082120,
activity:1286844,
activity:1286845,
activity:1286846,
activity:1475105
|
