|
rdf:type |
|
|
chemicalCompound:parent |
|
|
chemicalCompound:synonym |
synonym:505776_AY-64043_RESEARCH_CODE,
synonym:505776_ICI-45520_RESEARCH_CODE,
synonym:505776_Inderal la_TRADE_NAME,
synonym:505776_Inderal_TRADE_NAME,
synonym:505776_Innopran xl_TRADE_NAME,
synonym:505776_Propranolol Hydrochloride_JAN,
synonym:505776_Propranolol Hydrochloride_USAN,
synonym:505776_Propranolol Hydrochloride_USP,
synonym:505776_Propranolol hydrochloride intensol_TRADE_NAME,
synonym:505776_Propranolol hydrochloride_FDA_ALTERNATIVE_NAME,
synonym:505776_Propranolol hydrochloride_TRADE_NAME,
synonym:505776_Propranolol_BAN,
synonym:505776_Propranolol_INN,
synonym:505776_Sagittol_TRADE_NAME,
synonym:505776_Tesnol_TRADE_NAME
|
|
chemicalCompound:standardIn... |
InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H
|
|
chemicalCompound:standardIn... |
ZMRUPTIKESYGQW-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Cl.CC(C)NCC(O)COc1cccc2ccccc12
|
|
chemicalCompound:molecularF... |
C16H22ClNO2
|
|
chemicalCompound:moleculeId |
505776
|
|
chemicalCompound:mwFreebase |
259.343
|
|
chemicalCompound:alogp |
2.54
|
|
chemicalCompound:hba |
3
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
41.48
|
|
chemicalCompound:rtb |
6
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.84
|
|
chemicalCompound:acdLogP |
2.9
|
|
chemicalCompound:acdLogD |
0.785
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
295.804
|
|
chemicalCompound:acdMostBpk... |
9.5
|
|
chemicalCompound:chemblId |
CHEMBL1671
|
|
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 |
PROPRANOLOL HYDROCHLORIDE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:activity |
activity:133996,
activity:133997,
activity:133998,
activity:133999,
activity:134000,
activity:134001,
activity:134002,
activity:134003,
activity:134004,
activity:492961,
activity:492962,
activity:1095190,
activity:1095191,
activity:1095192,
activity:1095193,
activity:1095194,
activity:1095195,
activity:1095196,
activity:1117410,
activity:1117411,
activity:1117412,
activity:1117413,
activity:1117414,
activity:2310803,
activity:2310816,
activity:3080522,
activity:3080564,
activity:3473203,
activity:3486789,
activity:3486790,
activity:3486791,
activity:3486792,
activity:3486793,
activity:3486794,
activity:3486795,
activity:3634084,
activity:3695170,
activity:3773617,
activity:3885075,
activity:3939163,
activity:3988059,
activity:4192234,
activity:4278515,
activity:4358333,
activity:4533732,
activity:4535828,
activity:4538191,
activity:4743432
|
