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Compound InformationSONAR Target prediction
Name:

Cyproterone acetate

Unique Identifier:LOPAC 00767
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24ClH29O4
Molecular Weight:390.731 g/mol
X log p:3.24  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C5CC5C4(C)C3CCC21C)C(C)=O
Class:Hormone
Action:Antagonist
Selectivity:Androgen

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: GAS1
Replicates: 2
Raw OD Value: r im 0.6611±0.021496
Normalized OD Score: sc h 0.9748±0.0226505
Z-Score: -1.2098±1.08541
p-Value: 0.353152
Z-Factor: -4.18054
Fitness Defect: 1.0409
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.30 Celcius
Date:2005-11-17 YYYY-MM-DD
Plate CH Control (+):0.041575±0.00339
Plate DMSO Control (-):0.677625±0.02334
Plate Z-Factor:0.8887
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DBLink | Rows returned: 152 3 Next >> 
2714 (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-y
l) acetate
2914 n/a
9324 [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclo
penta[a]phenanthren-17-yl] acetate
9875 [(9S,14S,16R,17R)-17-acetyl-6-chloro-10,13,16-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopen
ta[a]phenanthren-17-yl] acetate
9880 n/a
31125 [(17R)-17-acetyl-6-chloro-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17
-yl] acetate

internal high similarity DBLink | Rows returned: 0

active | Cluster 5652 | Additional Members: 7 | Rows returned: 2
SPE01500381 0.526315789473684
Prest1208 0

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