Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 41 42 43 44 45 46 47 48 49 50  Next >> [101]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.6982±0.00763675
Normalized OD Score: sc h 0.9916±0.0046781
Z-Score: -0.4477±0.237674
p-Value: 0.6589
Z-Factor: -8.816
Fitness Defect: 0.4172
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2007-11-23 YYYY-MM-DD
Plate CH Control (+):0.040375±0.00140
Plate DMSO Control (-):0.6989500000000001±0.01328
Plate Z-Factor:0.9357
png
ps
pdf

DBLink | Rows returned: 1
125917 4-amino-3-(5-chlorothiophen-2-yl)butanoic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 10253 | Additional Members: 6 | Rows returned: 3
LOPAC 00573 0
Prest85 0
SPE01500135 0

Service provided by the Mike Tyers Laboratory