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: ESC2
Replicates: 2
Raw OD Value: r im 0.5726±0.0316077
Normalized OD Score: sc h 1.0230±0.0148328
Z-Score: 0.6994±0.415273
p-Value: 0.50282
Z-Factor: -4.09687
Fitness Defect: 0.6875
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.30 Celcius
Date:2005-11-25 YYYY-MM-DD
Plate CH Control (+):0.03955±0.00174
Plate DMSO Control (-):0.5625249999999999±0.02532
Plate Z-Factor:0.9222
png
ps
pdf

DBLink | Rows returned: 145[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [25]
543400 2-hydroxycyclopentadecan-1-one
543936 1-(3,17-dihydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenant
hren-17-yl)ethanone
545356 2-hydroxycyclooctan-1-one
566013 n/a
574047 8a-hydroxydecalin-1-one
627256 17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-3-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