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Compound InformationSONAR Target prediction
Name:

(±)-p-Chlorophenylalanine

Unique Identifier:LOPAC 00493
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9ClH10NO2
Molecular Weight:189.555 g/mol
X log p:7.634  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:NC(Cc1ccc(Cl)cc1)C(O)=O
Class:Neurotransmission
Action:Inhibitor
Selectivity:Tryptophan hydroxylase

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.6417±0.0239002
Normalized OD Score: sc h 1.0606±0.1005
Z-Score: 2.5869±4.38159
p-Value: 0.304564
Z-Factor: -5.12624
Fitness Defect: 1.1889
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.50 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.039825±0.00153
Plate DMSO Control (-):0.59845±0.01770
Plate Z-Factor:0.9359
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DBLink | Rows returned: 10<< Back 1 2
4573550 [1-carboxy-2-(4-chlorophenyl)ethyl]azanium
6918890 (2R)-2-azaniumyl-3-(4-chlorophenyl)propanoate
6931462 (2S)-2-azaniumyl-3-(4-chlorophenyl)propanoate
15983252 (2R)-2-amino-3-(4-chlorophenyl)-2-methyl-propanoic acid

internal high similarity DBLink | Rows returned: 1
SPE01502162 1.0000

active | Cluster 1385 | Additional Members: 11 | Rows returned: 0
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