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

Compound InformationSONAR Target prediction
Name:

GABA

Unique Identifier:LOPAC 00598
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
Class:GABA
Action:Agonist
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: 24 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [24]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8210±0.0121622
Normalized OD Score: sc h 0.9857±0.000875693
Z-Score: -1.0451±0.035269
p-Value: 0.296146
Z-Factor: -1.83819
Fitness Defect: 1.2169
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|A6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.146325±0.18630
Plate DMSO Control (-):0.8114±0.01158
Plate Z-Factor:0.9425
png
ps
pdf

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
SPE01500678 1.0000

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

Service provided by the Mike Tyers Laboratory