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

Compound InformationSONAR Target prediction
Name:

Droperidol

Unique Identifier:LOPAC 00821
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22FH22N3O2
Molecular Weight:357.253 g/mol
X log p:21.208  (online calculus)
Lipinksi Failures1
TPSA40.62
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:6
Canonical Smiles:Fc1ccc(cc1)C(=O)CCCN1CCC(C=C1)N1C(=O)Nc2ccccc12
Class:Dopamine
Action:Antagonist
Selectivity:D1/D2

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.7292±0.0340825
Normalized OD Score: sc h 0.9968±0.0224851
Z-Score: -0.0105±0.844719
p-Value: 0.550324
Z-Factor: -31.7166
Fitness Defect: 0.5972
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044700000000000004±0.00072
Plate DMSO Control (-):0.6693499999999999±0.04074
Plate Z-Factor:0.7407
png
ps
pdf

DBLink | Rows returned: 1
6603813 1-[(4S)-1-[4-(4-fluorophenyl)-4-oxo-butyl]-3,4-dihydro-2H-pyridin-4-yl]-3H-benzoimidazol-2-one

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 5771 | Additional Members: 4 | Rows returned: 3
Prest778 0.44047619047619
Prest705 0
SPE01501002 0

Service provided by the Mike Tyers Laboratory