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

Compound InformationSONAR Target prediction
Name:

JUGLONE

Unique Identifier:SPE00300038
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:168.105 g/mol
X log p:9.674  (online calculus)
Lipinksi Failures1
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:0
Canonical Smiles:Oc1cccc2c(=O)ccc(=O)c12
Class:quinone
Source:leaves and nuts of Juglans spp., Carya spp and Pterocarya spp.
Therapeutics:antineoplastic, antifungal

Found: 193 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [193]
Species: 4932
Condition: BIM1
Replicates: 2
Raw OD Value: r im 0.6605±0.00968736
Normalized OD Score: sc h 1.0211±0.00195165
Z-Score: 1.0768±0.0126988
p-Value: 0.281604
Z-Factor: -3.34747
Fitness Defect: 1.2673
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:7|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-06-24 YYYY-MM-DD
Plate CH Control (+):0.039875±0.00054
Plate DMSO Control (-):0.656725±0.02667
Plate Z-Factor:0.8742
png
ps
pdf

DBLink | Rows returned: 1
3806 5-hydroxynaphthalene-1,4-dione

internal high similarity DBLink | Rows returned: 0

active | Cluster 7565 | Additional Members: 10 | Rows returned: 5
SPE01505129 0.475
SPE00300545 0.35
LAT015F08 0.333333333333333
SPE00211468 0
LAT005A05 0

Service provided by the Mike Tyers Laboratory