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Compound InformationSONAR Target prediction
Name:

5-Aminovaleric acid hydrochloride

Unique Identifier:LOPAC 00565
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C5ClH12NO2
Molecular Weight:141.512 g/mol
X log p:-1.394  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:Cl.NCCCCC(O)=O
Class:GABA
Action:Antagonist
Selectivity:GABA-B
Generic_name:DELTA-AMINO VALERIC ACID
Chemical_iupac_name:DELTA-AMINO VALERIC ACID
Drug_type:Experimental
Drugbank_id:EXPT01116
Drug_category:L-Arginine: Glycine Amidinotransferase inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.5438±0.100945
Normalized OD Score: sc h 0.9987±0.053803
Z-Score: 0.0559±1.05911
p-Value: 0.479054
Z-Factor: -5.66473
Fitness Defect: 0.7359
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.50 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.04434999999999999±0.00279
Plate DMSO Control (-):0.6851375±0.15133
Plate Z-Factor:-0.3271
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DBLink | Rows returned: 5
138 5-aminopentanoic acid
69398 5-aminopentanoic acid hydrochloride
449593 4-carboxybutylazanium
2778232 5-aminopentanoic acid hydrate
6992101 5-azaniumylpentanoate

internal high similarity DBLink | Rows returned: 1
SPE01501126 1.0000

nonactive | Cluster 13075 | Additional Members: 7 | Rows returned: 6
LOPAC 00598 0.347826086956522
SPE01500678 0.347826086956522
SPE01501126 0.217391304347826
Prest1193 0
LOPAC 00685 0
SPE01500114 0

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