Home | Screening data | Screen comparisons | Search for compounds | Structure search

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] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BIK1
Replicates: 2
Raw OD Value: r im 0.7039±0.0103238
Normalized OD Score: sc h 1.0246±0.0173088
Z-Score: 1.0733±0.749789
p-Value: 0.347964
Z-Factor: -5.95399
Fitness Defect: 1.0557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2007-11-08 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00091
Plate DMSO Control (-):0.66355±0.02951
Plate Z-Factor:0.8592
png
ps
pdf

DBLink | Rows returned: 2037[1] << Back 331 332 333 334 335 336 337 338 339 340 Next >> [340]
11951067 16-methylheptadecan-1-olate; propan-2-olate; titanium(+4) cation
11976203 n/a
11983377 icosan-9-ol
11988144 5-methyl-2-propan-2-yl-1-tritio-cyclohexan-1-ol
11996452 n/a
12003447 (1,2,2-trimethylcyclopentyl)methanol

internal high similarity DBLink | Rows returned: 381 2 3 4 5 6 7 Next >> 
BTB 12413 0.9231
RJC 00940 0.9231
JFD 01247 0.9231
NRB 02212 0.9231
BTB 14986 0.9231
BTB 14459 0.9231

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

Service provided by the Mike Tyers Laboratory