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

Compound InformationSONAR Target prediction
Name:

WIN 62,577

Unique Identifier:LOPAC 01296
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28H30N4O
Molecular Weight:409.334 g/mol
X log p:11.371  (online calculus)
Lipinksi Failures1
TPSA51.75
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:0
Canonical Smiles:CC12CC3=Cn4c(nc5ccccc45)N=C3C=C1CCC1C2CCC2(C)C1CCC2(O)C#N
Class:Tachykinin
Action:Antagonist
Selectivity:NK1

Found: 16 nonactive | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.6573±0.0429214
Normalized OD Score: sc h 0.8535±0.141805
Z-Score: -3.9271±3.70516
p-Value: 0.095579
Z-Factor: -3.09106
Fitness Defect: 2.3478
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|A10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-19 YYYY-MM-DD
Plate CH Control (+):0.049975±0.00285
Plate DMSO Control (-):0.7780250000000001±0.03297
Plate Z-Factor:0.8972
png
ps
pdf

DBLink | Rows returned: 1
6604045

internal high similarity DBLink | Rows returned: 0

active | Cluster 7793 | Additional Members: 6 | Rows returned: 4
LAT004C08 0.55
LAT003A10 0
LOPAC 00038 0
SPE01500220 0

Service provided by the Mike Tyers Laboratory