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

Compound InformationSONAR Target prediction
Name:

PTAEROXYLIN

Unique Identifier:SPE00100513
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:244.158 g/mol
X log p:6.787  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:0
Canonical Smiles:CC1COc2cc3OC(C)=CC(=O)c3c(O)c2CC=1
Class:chromone
Source:Ptaeroxylon obliquum, Cedrelopsis grevei
Reference:J Chem Soc (C) 1966:114; 1967:145; Tet Lett 1967:3459

Found: 55 active | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [55]
Species: 4932
Condition: SPE01502260
Replicates: 2
Raw OD Value: r im 0.1660±0
Normalized OD Score: sc h 0.4886±0
Z-Score: -8.2858±0
p-Value: 1.17306e-16
Z-Factor: 0.745479
Fitness Defect: 36.6817
Bioactivity Statement: Active
Experimental Conditions
Library:SpectrumTMP
Plate Number and Position:1|A7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:0.00 Celcius
Date:2006-08-13 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00109
Plate DMSO Control (-):0.33975±0.01459
Plate Z-Factor:0.8418
png
ps
pdf

DBLink | Rows returned: 1
3646533

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 4376 | Additional Members: 4 | Rows returned: 3
SPE00200447 0.542372881355932
SPE00100531 0.442622950819672
SPE00100719 0

Service provided by the Mike Tyers Laboratory