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Compound InformationSONAR Target prediction
Name:

U-73122

Unique Identifier:LOPAC 00476
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C29H40N2O3
Molecular Weight:424.322 g/mol
X log p:10.846  (online calculus)
Lipinksi Failures1
TPSA46.61
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:9
Canonical Smiles:COc1ccc2C3CCC4(C)C(CCC4C3CCc2c1)NCCCCCCn1c(=O)ccc1=O
Class:Lipid
Action:Inhibitor
Selectivity:PLC, A2

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: TEP1
Replicates: 2
Raw OD Value: r im 0.5270±0.0718421
Normalized OD Score: sc h 0.8472±0.0359021
Z-Score: -6.2315±2.43647
p-Value: 0.00000326214
Z-Factor: -0.551395
Fitness Defect: 12.6331
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:16|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-05-17 YYYY-MM-DD
Plate CH Control (+):0.045649999999999996±0.00133
Plate DMSO Control (-):0.5635±0.02611
Plate Z-Factor:0.7763
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 3283 | Additional Members: 12 | Rows returned: 72 Next >> 
SPE01501191 0.534883720930233
SPE01505077 0.487179487179487
SPE01501180 0.416666666666667
SPE01501178 0.333333333333333
SPE01501182 0.305555555555556
LAT002A11 0

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