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Compound InformationSONAR Target prediction
Name:

1-AMINOCYCLOBUTANE CARBOXYLIC ACID

Unique Identifier:SPE01502131
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C5H9NO2
Molecular Weight:106.059 g/mol
X log p:-2.117  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:NC1(CCC1)C(O)=O
Source:(ACBC)
Reference:Eur J Pharmacol 161: 281 (1989)
Therapeutics:NMDA receptor antagonist
Generic_name:2-METHYLLEUCINE
Chemical_iupac_name:2-METHYLLEUCINE
Drug_type:Experimental
Drugbank_id:EXPT00130
Drug_category:Branched-Chain Amino Acid Aminotransferase inhibitor
Organisms_affected:-1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4
Species: 4932
Condition: SMI1
Replicates: 2
Raw OD Value: r im 0.4385±0.0809637
Normalized OD Score: sc h 0.7165±0.0940282
Z-Score: -5.8938±1.47509
p-Value: 0.000000615028
Z-Factor: -0.247608
Fitness Defect: 14.3016
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.10 Celcius
Date:2005-12-20 YYYY-MM-DD
Plate CH Control (+):0.038599999999999995±0.00238
Plate DMSO Control (-):0.620525±0.01476
Plate Z-Factor:0.9154
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DBLink | Rows returned: 871 2 3 4 5 6 7 8 9 10  Next >> 
791 2-amino-3-methyl-pentanoic acid
824 2-aminopentanoic acid
857 2-amino-4-methyl-pentanoic acid
6106 (2S)-2-amino-4-methyl-pentanoic acid
6306 (2S,3S)-2-amino-3-methyl-pentanoic acid
29512 (2S)-2-amino-4-methyl-pentanoic acid; cobalt

internal high similarity DBLink | Rows returned: 0

active | Cluster 4858 | Additional Members: 8 | Rows returned: 0
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