|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:1278_Belbis_TRADE_NAME,
synonym:1278_Cardizem CD_TRADE_NAME,
synonym:1278_Cardizem LA_TRADE_NAME,
synonym:1278_Cardizem_OTHER,
synonym:1278_Cardizem_TRADE_NAME,
synonym:1278_Dilacor_TRADE_NAME,
synonym:1278_Dilt-CD_OTHER,
synonym:1278_Diltiazem_FDA_ALTERNATIVE_NAME,
synonym:1278_Diltiazem_INN,
synonym:1278_Diltzac_OTHER,
synonym:1278_Tiamate_OTHER,
synonym:1278_Tiazac_OTHER,
synonym:1278_Tiazac_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
|
|
chemicalCompound:standardIn... |
HSUGRBWQSSZJOP-RTWAWAEBSA-N
|
|
chemicalCompound:canonicalS... |
COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
|
|
chemicalCompound:molecularF... |
C22H26N2O4S
|
|
chemicalCompound:moleculeId |
1278
|
|
chemicalCompound:mwFreebase |
414.518
|
|
chemicalCompound:alogp |
3.093
|
|
chemicalCompound:hba |
6
|
|
chemicalCompound:hbd |
0
|
|
chemicalCompound:psa |
84.38
|
|
chemicalCompound:rtb |
7
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
4.727
|
|
chemicalCompound:acdLogD |
3.356
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
414.518
|
|
chemicalCompound:acdMostBpk... |
8.937
|
|
chemicalCompound:chemblId |
CHEMBL23
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
DILTIAZEM
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:60115,
activity:60116,
activity:60117,
activity:60118,
activity:60119,
activity:69227,
activity:69228,
activity:69229,
activity:69230,
activity:69231,
activity:69232,
activity:69233,
activity:69234,
activity:69235,
activity:69236,
activity:69237,
activity:69238,
activity:69239,
activity:69240,
activity:69241,
activity:69242,
activity:77144,
activity:137295,
activity:137296,
activity:137297,
activity:137298,
activity:137299,
activity:137300,
activity:148025,
activity:148026,
activity:148027,
activity:148028,
activity:221214,
activity:221215,
activity:221216,
activity:228904,
activity:228905,
activity:271845,
activity:271846,
activity:283599,
activity:283600,
activity:287807,
activity:287808,
activity:287809,
activity:287810,
activity:287811,
activity:307696,
activity:307697,
activity:307698,
activity:307699,
activity:307700
|
