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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ARP1
Replicates: 2
Raw OD Value: r im 0.7328±0.0121622
Normalized OD Score: sc h 1.0055±0.00104397
Z-Score: 0.2797±0.0739211
p-Value: 0.780038
Z-Factor: -9.94543
Fitness Defect: 0.2484
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:8|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2006-03-23 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00139
Plate DMSO Control (-):0.719425±0.01597
Plate Z-Factor:0.9441
png
ps
pdf

DBLink | Rows returned: 2037[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [340]
11524 4-methylcyclohexan-1-ol
11527 octan-3-ol
11550 1-methylcyclohexan-1-ol
11566 3-methylcyclohexan-1-ol
12216 nonan-3-ol
12242 2-methylheptan-2-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