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

Compound InformationSONAR Target prediction
Name:

DIMETHYL GAMBOGATE

Unique Identifier:SPE10100009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:608.423 g/mol
X log p:11.296  (online calculus)
Lipinksi Failures1
TPSA97.36
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:10
Canonical Smiles:COC(=O)C(C)=CCC12OC(C)(C)C3CC(C=C4C(=O)c5c(OC341)c(CC=C(C)C)c1OC(C)(CC
C=C(C)C)C=Cc1c5OC)C2=O
Class:xanthone
Source:derivative of gambogic acid

Found: 191 nonactive | as graph: single | with analogs [1] << Back 181 182 183 184 185 186 187 188 189 190  Next >> [191]
Species: 4932
Condition: VAM3
Replicates: 2
Raw OD Value: r im 0.6209±0.0244659
Normalized OD Score: sc h 1.0005±0.000584326
Z-Score: 0.0127±0.017226
p-Value: 0.989852
Z-Factor: -31.1248
Fitness Defect: 0.0102
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:14|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2008-04-09 YYYY-MM-DD
Plate CH Control (+):0.040150000000000005±0.00063
Plate DMSO Control (-):0.5968±0.02225
Plate Z-Factor:0.8494
png
ps
pdf

DBLink | Rows returned: 2
6710687
6857785

internal high similarity DBLink | Rows returned: 4
SPE00201524 0.9074
SPE00201522 0.9343
SPE00201539 0.9442
SPE00200007 0.9664

active | Cluster 6558 | Additional Members: 3 | Rows returned: 2
SPE00200031 0.464566929133858
SPE00300549 0.192307692307692

Service provided by the Mike Tyers Laboratory