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Compound InformationSONAR Target prediction
Name:

Cortexolone

Unique Identifier:LOPAC 01179
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H30O4
Molecular Weight:319.246 g/mol
X log p:0.635  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C(=O)CO
Class:Hormone
Action:Precursor
Selectivity:Cortisol

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: HOC1
Replicates: 2
Raw OD Value: r im 0.5763±0.0226981
Normalized OD Score: sc h 1.0039±0.0102895
Z-Score: 0.1603±0.457967
p-Value: 0.749198
Z-Factor: -18.218
Fitness Defect: 0.2888
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.0392±0.00116
Plate DMSO Control (-):0.565825±0.01696
Plate Z-Factor:0.8686
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DBLink | Rows returned: 162 3 Next >> 
9050 (17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]
phenanthren-3-one
227112 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenan
thren-3-one
252011 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]ph
enanthren-3-one
440707 (8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one
657187 (8R,9S,10S,13S,14S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydr
o-1H-cyclopenta[a]phenanthren-3-one
5318189 (10R,13S,17S)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,14-trimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclop
enta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 152 3 Next >> 
LOPAC 00761 0.9020
LOPAC 00948 0.9020
SPE01701028 0.9038
SPE00300024 0.9038
SB 01709 0.9348
NRB 04205 0.9348

nonactive | Cluster 13537 | Additional Members: 14 | Rows returned: 82 Next >> 
SPE01500343 0.421052631578947
LAT001F09 0.421052631578947
LOPAC 00859 0.375
SPE01503221 0.353846153846154
Prest639 0.353846153846154
LOPAC 00696 0.333333333333333

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