|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:545509_Cardizem cd_TRADE_NAME,
synonym:545509_Cardizem la_TRADE_NAME,
synonym:545509_Cardizem_TRADE_NAME,
synonym:545509_Cartia xt_TRADE_NAME,
synonym:545509_Dilacor xr_TRADE_NAME,
synonym:545509_Dilt-CD_TRADE_NAME,
synonym:545509_Diltiazem Hydrochloride_JAN,
synonym:545509_Diltiazem Hydrochloride_USAN,
synonym:545509_Diltiazem Hydrochloride_USP,
synonym:545509_Diltiazem hydrochloride_FDA_ALTERNATIVE_NAME,
synonym:545509_Diltiazem hydrochloride_TRADE_NAME,
synonym:545509_Diltiazem_BAN,
synonym:545509_Diltiazem_INN,
synonym:545509_Diltzac_TRADE_NAME,
synonym:545509_RG-83606_RESEARCH_CODE,
synonym:545509_Taztia xt_TRADE_NAME,
synonym:545509_Tiazac_TRADE_NAME
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|
chemicalCompound:standardIn... |
InChI=1S/C22H26N2O4S.ClH/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;1H/t20-,21+;/m1./s1
|
|
chemicalCompound:standardIn... |
HDRXZJPWHTXQRI-BHDTVMLSSA-N
|
|
chemicalCompound:canonicalS... |
Cl.COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
|
|
chemicalCompound:molecularF... |
C22H27ClN2O4S
|
|
chemicalCompound:moleculeId |
545509
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|
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 |
450.979
|
|
chemicalCompound:acdMostBpk... |
8.937
|
|
chemicalCompound:chemblId |
CHEMBL1697
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
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 HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:240470,
activity:442763,
activity:442764,
activity:442765,
activity:551900,
activity:551901,
activity:551902,
activity:551903,
activity:1023340,
activity:1023341,
activity:1023342,
activity:1023343,
activity:1023344,
activity:1023345,
activity:1023346,
activity:1023347,
activity:1023348,
activity:1023349,
activity:1023350,
activity:1023351,
activity:1023352,
activity:1023353,
activity:1023354,
activity:3472898,
activity:3624456,
activity:3636078,
activity:3695131,
activity:3795742,
activity:3940464,
activity:3987998,
activity:4014723,
activity:4278465,
activity:4362713,
activity:4402424,
activity:4434642,
activity:4435454,
activity:4535780,
activity:4559031,
activity:4745843,
activity:4917910,
activity:4966329,
activity:5076962,
activity:5152989,
activity:5153003,
activity:5153010,
activity:5153017
|
