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Compound InformationSONAR Target prediction
Name:

L-3,4-Dihydroxyphenylalanine methyl ester hydrochloride

Unique Identifier:LOPAC 00822
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10ClH14NO4
Molecular Weight:233.564 g/mol
X log p:6.221  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:4
Canonical Smiles:Cl.COC(=O)C(N)Cc1ccc(O)c(O)c1
Class:Dopamine
Action:Precursor

Found: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: PAC10
Replicates: 2
Raw OD Value: r im 0.7208±0.0072832
Normalized OD Score: sc h 1.0269±0.021146
Z-Score: 1.2164±0.946129
p-Value: 0.32173
Z-Factor: -3.32048
Fitness Defect: 1.134
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|D7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-15 YYYY-MM-DD
Plate CH Control (+):0.0446±0.00121
Plate DMSO Control (-):0.65615±0.01941
Plate Z-Factor:0.9093
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DBLink | Rows returned: 72 Next >> 
23497 methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
28934 methyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate
135504 methyl (2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoate
424631 methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate
5233030 [2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium
6918946 [(1S)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-ethyl]azanium

internal high similarity DBLink | Rows returned: 3
BTB 06642 0.9077
LOPAC 01043 0.9077
RJC 01672 0.9077

nonactive | Cluster 12980 | Additional Members: 10 | Rows returned: 72 Next >> 
SPE01502206 0.55
LOPAC 01089 0.55
LOPAC 00584 0.365853658536585
SPE02300205 0
LAT005E02 0
Prest185 0

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