|
rdf:type |
|
|
chemicalCompound:synonym |
synonym:8543_LB-46_RESEARCH_CODE,
synonym:8543_Pindolol_BAN,
synonym:8543_Pindolol_FDA_ALTERNATIVE_NAME,
synonym:8543_Pindolol_INN,
synonym:8543_Pindolol_JAN,
synonym:8543_Pindolol_TRADE_NAME,
synonym:8543_Pindolol_USAN,
synonym:8543_Pindolol_USP,
synonym:8543_Prinodolol_OTHER,
synonym:8543_Visken_TRADE_NAME,
synonym:8543_WAY-100635_RESEARCH_CODE
|
|
chemicalCompound:standardIn... |
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
|
|
chemicalCompound:standardIn... |
JZQKKSLKJUAGIC-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
CC(C)NCC(O)COc1cccc2[nH]ccc12
|
|
chemicalCompound:molecularF... |
C14H20N2O2
|
|
chemicalCompound:moleculeId |
8543
|
|
chemicalCompound:mwFreebase |
248.321
|
|
chemicalCompound:alogp |
1.925
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
3
|
|
chemicalCompound:psa |
57.28
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.942
|
|
chemicalCompound:acdLogP |
1.68
|
|
chemicalCompound:acdLogD |
-0.502
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
248.321
|
|
chemicalCompound:acdMostBpk... |
9.541
|
|
chemicalCompound:chemblId |
CHEMBL500
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
Yes
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
PINDOLOL
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1982
|
|
chemicalCompound:activity |
activity:54693,
activity:88709,
activity:88710,
activity:88711,
activity:88712,
activity:110017,
activity:155349,
activity:155350,
activity:155351,
activity:226481,
activity:226482,
activity:226483,
activity:226484,
activity:226485,
activity:226486,
activity:226487,
activity:248670,
activity:260953,
activity:325518,
activity:437369,
activity:437370,
activity:437371,
activity:681635,
activity:681636,
activity:681637,
activity:724943,
activity:836414,
activity:859415,
activity:859416,
activity:859417,
activity:888337,
activity:888338,
activity:888339,
activity:888340,
activity:1025233,
activity:1040670,
activity:1040687,
activity:1045653,
activity:1045654,
activity:1045655,
activity:1045656,
activity:1091788,
activity:1091789,
activity:1091790,
activity:1138400,
activity:1138401,
activity:1138402,
activity:1138403,
activity:1288182,
activity:1288183,
activity:1288184,
activity:1288185
|
