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

Compound InformationSONAR Target prediction
Name:

FUCOSTANOL

Unique Identifier:SPE01504053
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:364.31 g/mol
X log p:1.79  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:6
Canonical Smiles:CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
Class:sterol
Source:Calendula officinalis
Reference:J Am Chem Soc 60: 2431 (1938)
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: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205
Species: 4932
Condition: TOR1
Replicates: 2
Raw OD Value: r im 1.0023±0.0046669
Normalized OD Score: sc h 0.9911±0.00151805
Z-Score: 1.0519±0.0310731
p-Value: 0.292974
Z-Factor: -5.00942
Fitness Defect: 1.2277
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:19|G8
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2012-09-18 YYYY-MM-DD
Plate CH Control (+):0.001025±0.00256
Plate DMSO Control (-):0.9952500000000001±0.02580
Plate Z-Factor:0.9244
png
ps
pdf

DBLink | Rows returned: 2037[1] << Back 211 212 213 214 215 216 217 218 219 220  Next >> [340]
3080622 n/a
3081571 4-[4-(4-hydroxycyclohexyl)hexan-3-yl]cyclohexan-1-ol
3082055 n/a
3082861 n/a
3083682 n/a
3084097 (3S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,1
2,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

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