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Compound InformationSONAR Target prediction
Name:

4-AMINO-3- (5-CHLOROTHIEN-2-YL)BUTANOIC ACID

Unique Identifier:SPE01502143
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8ClH10NO2S
Molecular Weight:209.61 g/mol
X log p:3.82  (online calculus)
Lipinksi Failures0
TPSA42.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:NCC(CC(O)=O)c1sc(Cl)cc1
Reference:J Med Chem 34: 2557 (1991); Eur J Pharmacol 221: 145 (1992)
Therapeutics:GABAb central agonist, GABAb gp illeum antagonist

Found: 101 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [101]
Species: 4932
Condition: CNB1
Replicates: 2
Raw OD Value: r im 0.6982±0.000707107
Normalized OD Score: sc h 0.9970±0.00205556
Z-Score: -0.1112±0.0784368
p-Value: 0.911576
Z-Factor: -21.5757
Fitness Defect: 0.0926
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.60 Celcius
Date:2006-04-12 YYYY-MM-DD
Plate CH Control (+):0.038675±0.00174
Plate DMSO Control (-):0.6825249999999999±0.01124
Plate Z-Factor:0.9375
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DBLink | Rows returned: 1
125917 4-amino-3-(5-chlorothiophen-2-yl)butanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 10253 | Additional Members: 6 | Rows returned: 0
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