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

Compound InformationSONAR Target prediction
Name:

ERGOSTA-7,22-DIEN-3-ONE

Unique Identifier:SPE01800109
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:352.299 g/mol
X log p:8.157  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:4
Canonical Smiles:CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC12C
Class:sterol
Source:Fomes & Coriolis spp.
Reference:J Chem Soc (C)1971:685

Found: 192 nonactive as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [192]
Species: 4932
Condition: SWR1
Replicates: 2
Raw OD Value: r im 0.6495±0.00678822
Normalized OD Score: sc h 1.0046±0.000905196
Z-Score: 0.1850±0.0333248
p-Value: 0.853238
Z-Factor: -19.5653
Fitness Defect: 0.1587
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-01-31 YYYY-MM-DD
Plate CH Control (+):0.040725±0.00064
Plate DMSO Control (-):0.6174±0.03005
Plate Z-Factor:0.8335
png
ps
pdf

DBLink | Rows returned: 124<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
109302 1-(3,5,5-trimethyl-2,3,4,4a,6,8a-hexahydro-1H-naphthalen-2-yl)propan-1-one
109420 1-(2,6,6-trimethyl-1-cyclohex-2-enyl)pentan-3-one
141764 n/a
142059 n/a
162285 4-(7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)butanal
185590 n/a

internal high similarity DBLink | Rows returned: 5
SPE00300166 0.9167
JFD 02026 0.9189
SPE01500849 0.9189
NRB 03735 0.9706
NRB 03822 0.9706

active | Cluster 5085 | Additional Members: 3 | Rows returned: 1
SPE00200743 0

Service provided by the Mike Tyers Laboratory