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Compound InformationSONAR Target prediction
Name:

AMINOCYCLOPROPANECARBOXYLIC ACID

Unique Identifier:SPE01502130
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:94.0483 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(CC1)C(O)=O
Source:synthetic; ACPC
Therapeutics:NMDA partial agonist (gly)
Generic_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Chemical_iupac_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00065
Drug_category:1-Aminocyclopropane-1-Carboxylate Deaminase inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.4850±0.00445477
Normalized OD Score: sc h 1.0075±0.00326064
Z-Score: -0.0867±0.179762
p-Value: 0.89923
Z-Factor: -30.4542
Fitness Defect: 0.1062
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-02-05 YYYY-MM-DD
Plate CH Control (+):0.041±0.00049
Plate DMSO Control (-):0.47947500000000004±0.01495
Plate Z-Factor:0.9007
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DBLink | Rows returned: 51<< Back 1 2 3 4 5 6 7 8 9 Next >> 
80283 (2S)-2-aminobutanoic acid
94744 2-amino-2-methyl-butanoic acid
116758 calcium 2-amino-3-methyl-butanoate
164608 (2S)-2-amino-3,3-dimethyl-butanoic acid
214786 sodium (2S)-2-amino-3-methyl-butanoate
229525 2-amino-2,3-dimethyl-butanoic acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00644 1.0000

active | Cluster 4858 | Additional Members: 8 | Rows returned: 1
SPE01502131 0.2

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