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Compound InformationSONAR Target prediction
Name:

gamma-AMINOBUTYRIC ACID

Unique Identifier:SPE01500678
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C4H9NO2
Molecular Weight:94.0483 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:3
Canonical Smiles:NCCCC(O)=O
Source:widely distributed in higher plants
Therapeutics:antihypertensive
Generic_name:GAMMA(AMINO)-BUTYRIC ACID
Chemical_iupac_name:GAMMA-AMINO-BUTANOIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00402
Logp:-0.55
Drug_category:L-Arginine: Glycine Amidinotransferase inhibitor
Organisms_affected:-1

Found: 114 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [114]
Species: 4932
Condition: NUP100
Replicates: 2
Raw OD Value: r im 0.7336±0.0235467
Normalized OD Score: sc h 1.0069±0.00806433
Z-Score: 0.4743±0.554294
p-Value: 0.660344
Z-Factor: -14.6558
Fitness Defect: 0.415
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2007-08-28 YYYY-MM-DD
Plate CH Control (+):0.04085±0.00086
Plate DMSO Control (-):0.7100250000000001±0.12253
Plate Z-Factor:0.4268
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DBLink | Rows returned: 20<< Back 1 2 3 4 Next >> 
4069074 (3-carboxy-2,2-dimethyl-propyl)azanium
4189826 3-carboxybutylazanium
5460232 4-aminobutanoate
6604938 (3R)-4-amino-3-methyl-butanoic acid
6954859 (2S)-4-azaniumyl-2-methyl-butanoate
6954860 (2R)-4-azaniumyl-2-methyl-butanoate

internal high similarity DBLink | Rows returned: 1
LOPAC 00598 1.0000

active | Cluster 13075 | Additional Members: 7 | Rows returned: 1
SPE01500114 0

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