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Compound InformationSONAR Target prediction
Name:

p-CHLOROPHENYLALANINE

Unique Identifier:SPE01502162
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
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
Source:synthetic
Therapeutics:Irreversible inhibitor of tryptophan hydrxylase

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.7794±0.00912168
Normalized OD Score: sc h 0.9809±0.00944974
Z-Score: -0.7005±0.3242
p-Value: 0.49496
Z-Factor: -6.18146
Fitness Defect: 0.7033
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:20|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.038724999999999996±0.00174
Plate DMSO Control (-):0.750675±0.02919
Plate Z-Factor:0.9241
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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
LOPAC 00493 1.0000

nonactive | Cluster 1385 | Additional Members: 11 | Rows returned: 6
LOPAC 01033 0.444444444444444
SPE01500382 0.444444444444444
LOPAC 00493 0.384615384615385
LOPAC 00912 0
LAT003F10 0
SPE01502114 0

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