Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one

Unique Identifier:LOPAC 01126
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O3
Molecular Weight:301.231 g/mol
X log p:-0.154  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12
Class:GABA
Action:Modulator
Selectivity:GABA-A

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: LGE1
Replicates: 2
Raw OD Value: r im 0.5513±0.0346482
Normalized OD Score: sc h 1.0259±0.010087
Z-Score: 0.8825±0.320269
p-Value: 0.389642
Z-Factor: -3.23558
Fitness Defect: 0.9425
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-11-29 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00064
Plate DMSO Control (-):0.5160750000000001±0.01307
Plate Z-Factor:0.9173
png
ps
pdf

DBLink | Rows returned: 145[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [25]
630364 5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-4-one
630405 17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren
-3-one
827465 (2S,4S)-2-hydroxy-2-methyl-4-tert-butyl-cyclohexan-1-one
1268070 (1R,2S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one
2729261 (5S,8R,9S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclo
penta[a]phenanthren-3-one
2750706 1-(1-hydroxy-2-methyl-5-propan-2-yl-cyclohexyl)ethanone

internal high similarity DBLink | Rows returned: 1
RJC 02364 1.0000

active | Cluster 17389 | Additional Members: 4 | Rows returned: 2
SPE00100652 0.4
SPE00100303 0

Service provided by the Mike Tyers Laboratory