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Compound InformationSONAR Target prediction
Name:

3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradeca
hydro-1H-cyclopenta[a]phenanthren-17-one

Unique Identifier:JFD 01755
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19H28O2
Molecular Weight:262.218 g/mol
X log p:1.074  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
Generic_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Chemical_iupac_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Drug_type:Experimental
Drugbank_id:EXPT00519
Logp:3.73
Drug_category:Isomerase inhibitor
Organisms_affected:-1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: pdryCG200
Replicates: 2
Raw OD Value: r im 0.2910±0.0282843
Normalized OD Score: sc h 0.3703±0.0142006
Z-Score: -28.5863±1.4993
p-Value: 0
Z-Factor: 0.825764
Fitness Defect: INF
Bioactivity Statement: Active
Experimental Conditions
Library:Bioactive
Plate Number and Position:4|C4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.097±0.01141
Plate DMSO Control (-):1.0005±0.02251
Plate Z-Factor:0.8948
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
6973641 1-[(3R,8R,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone
6973642 1-[(3R,8R,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone
6979098 1-[(3S,8R,9R,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone
6981579 n/a
6983807 n/a
6983808 n/a

internal high similarity DBLink | Rows returned: 3
NRB 04201 1.0000
SPE00100582 1.0000
SPE01500645 1.0000

active | Cluster 10893 | Additional Members: 6 | Rows returned: 1
SPE00100582 0.453333333333333

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