|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
|
|
chemicalCompound:standardIn... |
XYLJNLCSTIOKRM-UHFFFAOYSA-N
|
|
chemicalCompound:canonicalS... |
Brc1c(NC2=NCCN2)ccc3nccnc13
|
|
chemicalCompound:molecularF... |
C11H10BrN5
|
|
chemicalCompound:moleculeId |
62817
|
|
chemicalCompound:mwFreebase |
292.135
|
|
chemicalCompound:alogp |
1.237
|
|
chemicalCompound:hba |
5
|
|
chemicalCompound:hbd |
2
|
|
chemicalCompound:psa |
62.2
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdLogP |
1.202
|
|
chemicalCompound:acdLogD |
0.726
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
292.135
|
|
chemicalCompound:acdMostBpk... |
7.693
|
|
chemicalCompound:chemblId |
CHEMBL844
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
No
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
No
|
|
chemicalCompound:topical |
Yes
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
No
|
|
chemicalCompound:proDrug |
No
|
|
chemicalCompound:prefName |
BRIMONIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
1996
|
|
chemicalCompound:activity |
activity:166565,
activity:166566,
activity:166567,
activity:166568,
activity:166569,
activity:253179,
activity:372490,
activity:372491,
activity:372492,
activity:825358,
activity:825359,
activity:825360,
activity:825361,
activity:878960,
activity:878961,
activity:878962,
activity:958213,
activity:958214,
activity:958215,
activity:958216,
activity:958217,
activity:958218,
activity:958219,
activity:958220,
activity:958221,
activity:958222,
activity:1118703,
activity:1118704,
activity:1118705,
activity:1233170,
activity:1233171,
activity:1233172,
activity:1233173,
activity:1233174,
activity:1233175,
activity:1233176,
activity:1233177,
activity:1233178,
activity:1233179,
activity:1233180,
activity:1233181,
activity:1293192,
activity:1293193,
activity:1293194,
activity:1293195,
activity:1923990,
activity:1923998,
activity:2358701,
activity:2358702,
activity:2500581,
activity:2500590,
activity:3418128,
activity:3490326,
activity:3490327,
activity:3490328,
activity:3491199,
activity:3625459,
activity:3654952,
activity:3659869,
activity:3695137
|
