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Compound InformationSONAR Target prediction
Name:

3beta-CHLOROANDROSTANONE

Unique Identifier:SPE00100586
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19ClH29O
Molecular Weight:280.663 g/mol
X log p:0.547  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(Cl)CC1CCC1C2CCC2(C)C1CCC2=O
Source:derivative

Found: 5 active | as graph: single | with analogs 2 3 4 5 Next >> 
Species: 4932
Condition: MCK1
Replicates: 2
Raw OD Value: r im 0.5431±0.00452548
Normalized OD Score: sc h 0.8879±0.00487075
Z-Score: -4.7650±0.166267
p-Value: 0.00000220348
Z-Factor: -7.13191
Fitness Defect: 13.0255
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.70 Celcius
Date:2007-11-13 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00056
Plate DMSO Control (-):0.595425±0.11425
Plate Z-Factor:0.3537
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DBLink | Rows returned: 9<< Back 1 2
7078947 (3R,5R,8S,9R,10S,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one
7078948 (3R,5R,8R,9S,10S,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one
7078949 (3R,5R,8S,9S,10S,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclope
nta[a]phenanthren-17-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 11774 | Additional Members: 14 | Rows returned: 82 Next >> 
SPE00107108 0.377049180327869
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00310009 0
Prest1062 0
Prest689 0

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