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 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8465±0.00721249
Normalized OD Score: sc h 1.0321±0.000403477
Z-Score: 2.4481±0.272031
p-Value: 0.0161815
Z-Factor: -0.657992
Fitness Defect: 4.1239
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00095
Plate DMSO Control (-):0.803575±0.01339
Plate Z-Factor:0.9289
png
ps
pdf

DBLink | Rows returned: 145[1] << Back 21 22 23 24 25 Next >> [25]
7099846 n/a
7099847 n/a
7099848 n/a
7099849 n/a
7099888 (5R,8S,9R,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
7099889 (5R,8S,9S,10R,13R,14S,17R)-5-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one

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