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Compound InformationSONAR Target prediction
Name:

EPICOPROSTEROL

Unique Identifier:SPE01504056
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C27H48O
Molecular Weight:341.296 g/mol
X log p:1.606  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:5
Canonical Smiles:CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Source:ex mammalian excretions
Generic_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Chemical_iupac_name:5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL
Drug_type:Experimental
Drugbank_id:EXPT00530
Logp:3.73
Drug_category:Sex Hormone-Binding Globulin inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.7092±0.00141421
Normalized OD Score: sc h 1.0044±0.00455083
Z-Score: 0.2403±0.250852
p-Value: 0.812984
Z-Factor: -35.5461
Fitness Defect: 0.207
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.041624999999999995±0.00032
Plate DMSO Control (-):0.684675±0.01815
Plate Z-Factor:0.9186
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DBLink | Rows returned: 2037[1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [340]
80080 (2R)-octan-2-ol
80281 nonadecan-1-ol
80305 nonan-1-olate; titanium(+4) cation
81634 (1S,2S)-2-tert-butylcyclohexan-1-ol
82184 hexadecane-1,16-diol
82759 (4-tert-butylcyclohexyl)methanol

internal high similarity DBLink | Rows returned: 38<< Back 1 2 3 4 5 6 7 Next >> 
SPE00300105 1.0000
SPE01503134 1.0000
SPE00107100 1.0000
NRB 02140 1.0000
NRB 01891 1.0000
BTB 12891 1.0000

active | Cluster 2228 | Additional Members: 18 | Rows returned: 71 2 Next >> 
SPE00270051 0.451219512195122
SPE01500835 0.309859154929578
SPE01500605 0.3
SPE01500837 0.3
Prest256 0.3
SPE01500906 0

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