|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:173_Desmethyl indomethacin_OTHER,
synonym:173_Indo-lemmon_TRADE_NAME,
synonym:173_Indocin SR_TRADE_NAME,
synonym:173_Indocin_TRADE_NAME,
synonym:173_Indometacin Farnesil_JAN,
synonym:173_Indometacin_BAN,
synonym:173_Indometacin_INN,
synonym:173_Indometacin_JAN,
synonym:173_Indomethacin_FDA_ALTERNATIVE_NAME,
synonym:173_Indomethacin_TRADE_NAME,
synonym:173_Indomethacin_USAN,
synonym:173_Indomethacin_USP
|
|
chemicalCompound:standardIn... |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
|
|
chemicalCompound:standardIn... |
CGIGDMFJXJATDK-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c3ccc(Cl)cc3
|
|
chemicalCompound:molecularF... |
C19H16ClNO4
|
|
chemicalCompound:moleculeId |
173
|
|
chemicalCompound:mwFreebase |
357.788
|
|
chemicalCompound:alogp |
4.235
|
|
chemicalCompound:hba |
4
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
68.53
|
|
chemicalCompound:rtb |
4
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
3.961
|
|
chemicalCompound:acdLogP |
4.251
|
|
chemicalCompound:acdLogD |
0.984
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
357.788
|
|
chemicalCompound:chemblId |
CHEMBL6
|
|
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 |
INDOMETHACIN
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1985
|
|
chemicalCompound:activity |
activity:37622,
activity:37623,
activity:37624,
activity:37625,
activity:39727,
activity:54068,
activity:54069,
activity:54070,
activity:56736,
activity:56737,
activity:56738,
activity:56739,
activity:56740,
activity:56741,
activity:56742,
activity:56743,
activity:56744,
activity:71415,
activity:84676,
activity:84677,
activity:84678,
activity:84679,
activity:84680,
activity:84965,
activity:84966,
activity:84967,
activity:84968,
activity:84969,
activity:84970,
activity:85880,
activity:87222,
activity:87223,
activity:87224,
activity:91756,
activity:91757,
activity:91758,
activity:91759,
activity:99959,
activity:99960,
activity:99961,
activity:99962,
activity:110021,
activity:131783,
activity:131784,
activity:131785,
activity:132512,
activity:132513,
activity:132514,
activity:132515,
activity:132516,
activity:132517,
activity:132518,
activity:132519,
activity:139065,
activity:139066,
activity:150956,
activity:150957,
activity:164234,
activity:164235,
activity:169524,
activity:170891,
activity:170892,
activity:170893,
activity:170894,
activity:170895,
activity:170896,
activity:170897,
activity:184191,
activity:184192,
activity:193719,
activity:193720,
activity:193721,
activity:193722,
activity:195842,
activity:195843,
activity:195844,
activity:208225,
activity:211699,
activity:223682,
activity:223683,
activity:223684,
activity:223685,
activity:223686,
activity:223687,
activity:223688,
activity:223689,
activity:223690,
activity:223691,
activity:223692,
activity:223693,
activity:223694,
activity:223695,
activity:223696,
activity:223697,
activity:223698,
activity:223699,
activity:223700,
activity:223701,
activity:223702,
activity:223703,
activity:223704,
activity:230772,
activity:230773,
activity:231367,
activity:231368,
activity:231369,
activity:231370,
activity:231371,
activity:231372,
activity:232819,
activity:252035,
activity:268753,
activity:268754,
activity:268755,
activity:268756,
activity:272575,
activity:272576,
activity:272577,
activity:276717,
activity:283336,
activity:283337,
activity:283338,
activity:283339,
activity:283340,
activity:283341,
activity:283342,
activity:296950,
activity:296951,
activity:300246,
activity:300247,
activity:300248,
activity:302058,
activity:304296,
activity:304297,
activity:316378,
activity:316379,
activity:318756,
activity:318757,
activity:332978,
activity:340241,
activity:346266,
activity:362107,
activity:362108,
activity:362109,
activity:362110,
activity:362111,
activity:362112,
activity:362113,
activity:362114,
activity:362115,
activity:362116,
activity:362117
|
