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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7303±0.0448793
Normalized OD Score: sc h 0.9934±0.0126367
Z-Score: -0.2870±0.365489
p-Value: 0.774266
Z-Factor: -119.06
Fitness Defect: 0.2558
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04800625000000002±0.00227
Plate DMSO Control (-):0.7375000000000003±0.02694
Plate Z-Factor:0.9214
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
6540824 (8R,9R,10R,13R,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
6603981 (8R,9S,10S,13R,14R,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
6918959 (8S,9S,10S,13S,14R,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
6931415 (8S,9R,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
6978285 (8S,9R,10S,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
7058020 (8R,9R,10R,13S,14R,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

internal high similarity DBLink | Rows returned: 151 2 3 Next >> 
LOPAC 00761 0.9020
LOPAC 00948 0.9020
SPE01701028 0.9038
SPE00300024 0.9038
SB 01709 0.9348
NRB 04205 0.9348

active | Cluster 13537 | Additional Members: 14 | Rows returned: 4
SPE01500343 0.421052631578947
LOPAC 00859 0.375
SPE01503221 0.353846153846154
SPE01701060 0

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