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

Compound InformationSONAR Target prediction
Name:

PD 98,059

Unique Identifier:LAT006E05
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C16H13NO3
Molecular Weight:254.176 g/mol
X log p:16.42  (online calculus)
Lipinksi Failures1
TPSA35.53
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:COc1cccc(c1N)C1Oc2ccccc2C(=O)C=1

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: wt18h
Replicates: 2
Raw OD Value: r im 0.5934±0.0403051
Normalized OD Score: sc h 0.7142±0.0408353
Z-Score: -7.9749±0.262356
p-Value: 0.0000000000000035346
Z-Factor: 0.289491
Fitness Defect: 33.2762
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:6|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-02-28 YYYY-MM-DD
Plate CH Control (+):0.039349999999999996±0.00143
Plate DMSO Control (-):0.79165±0.02175
Plate Z-Factor:0.8690
png
ps
pdf

DBLink | Rows returned: 1
4713 2-(2-amino-3-methoxy-phenyl)chromen-4-one

internal high similarity DBLink | Rows returned: 1
LOPAC 01174 1.0000

nonactive | Cluster 12019 | Additional Members: 25 | Rows returned: 72 Next >> 
SPE01504132 0.480769230769231
SPE01505139 0.42
LOPAC 01174 0.403846153846154
BTB 13702 0.347826086956522
SPE01500735 0.326530612244898
SPE01500741 0.295454545454545

Service provided by the Mike Tyers Laboratory