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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 21 22 23 24 Next >> [24]
Species: 4932
Condition: WHI3
Replicates: 2
Raw OD Value: r im 0.6466±0.182363
Normalized OD Score: sc h 0.8876±0.176592
Z-Score: -5.3027±8.06035
p-Value: 0.34574
Z-Factor: -8.80984
Fitness Defect: 1.0621
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:4|E7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.04475±0.00173
Plate DMSO Control (-):0.6949000000000001±0.05718
Plate Z-Factor:0.8314
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DBLink | Rows returned: 101 2 Next >> 
4652 2-amino-3-(4-chlorophenyl)propanoic acid
39972 [1-carboxy-2-(4-chlorophenyl)ethyl]azanium chloride
450582 2-amino-3-(4-chlorophenyl)propanoic acid
560265 2-amino-3-(4-chlorophenyl)-2-methyl-propanoic acid
667429 (2R)-2-amino-3-(4-chlorophenyl)propanoic acid
736190 (2S)-2-amino-3-(4-chlorophenyl)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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