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

Compound InformationSONAR Target prediction
Name:

OBLIQUIN

Unique Identifier:SPE00100540
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:232.147 g/mol
X log p:9.126  (online calculus)
Lipinksi Failures1
TPSA44.76
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:1
Canonical Smiles:CC(=C)C1COc2cc3OC(=O)C=Cc3cc2O1
Class:coumarin
Source:sneezewood or umtati, Ptaeroxylon Obliquum
Reference:J Chem Soc 1966: 114

Found: 71 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [71]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7660±0.00650538
Normalized OD Score: sc h 0.9721±0.0229529
Z-Score: -1.5257±1.13375
p-Value: 0.24449
Z-Factor: -3.98836
Fitness Defect: 1.4086
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.039975±0.00223
Plate DMSO Control (-):0.7706500000000001±0.02871
Plate Z-Factor:0.8837
png
ps
pdf

DBLink | Rows returned: 2
5018929
6708593

internal high similarity DBLink | Rows returned: 1
SPE00100543 0.9672

active | Cluster 302 | Additional Members: 10 | Rows returned: 3
LAT001E05 0.533333333333333
SPE00100543 0.533333333333333
SPE01504164 0.485714285714286

Service provided by the Mike Tyers Laboratory