|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
|
|
chemicalCompound:standardIn... |
ZBBHBTPTTSWHBA-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C
|
|
chemicalCompound:molecularF... |
C26H29N3O6
|
|
chemicalCompound:moleculeId |
407549
|
|
chemicalCompound:mwFreebase |
479.525
|
|
chemicalCompound:alogp |
3.488
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
1
|
|
chemicalCompound:psa |
113.69
|
|
chemicalCompound:rtb |
11
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
N
|
|
chemicalCompound:acdLogP |
4.893
|
|
chemicalCompound:acdLogD |
4.637
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
479.525
|
|
chemicalCompound:acdMostBpk... |
7.295
|
|
chemicalCompound:chemblId |
CHEMBL1484
|
|
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 |
NICARDIPINE
|
|
chemicalCompound:firstAppro... |
1988
|
|
chemicalCompound:activity |
activity:180164,
activity:180165,
activity:180166,
activity:335403,
activity:335404,
activity:367572,
activity:367573,
activity:367574,
activity:367575,
activity:367576,
activity:367577,
activity:367578,
activity:367579,
activity:367580,
activity:367581,
activity:367582,
activity:389069,
activity:407458,
activity:407459,
activity:407460,
activity:407461,
activity:407462,
activity:407463,
activity:845012,
activity:845013,
activity:845014,
activity:845015,
activity:845016,
activity:845017,
activity:845018,
activity:845019,
activity:845020,
activity:845021,
activity:881452,
activity:881453,
activity:889436,
activity:889437,
activity:889438,
activity:889439,
activity:898553,
activity:919821,
activity:919822,
activity:931149,
activity:931150,
activity:931151,
activity:931152,
activity:931153,
activity:931154,
activity:933287,
activity:933288,
activity:940140,
activity:940141,
activity:962939,
activity:962940,
activity:962941,
activity:962942,
activity:962943,
activity:962944,
activity:986727,
activity:986728,
activity:986729,
activity:986730,
activity:986731
|
