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Compound InformationSONAR Target prediction
Name:

Ng-METHYL-L-ARGININE ACETATE

Unique Identifier:SPE01502194
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9H20N4O4
Molecular Weight:228.121 g/mol
X log p:-1.982  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:7
Canonical Smiles:CNC(=N)NCCCC(N)C(O)=O.CC(O)=O
Reference:Biochem Biophys Res Comm 177: 828 (1991)
Therapeutics:NO synthesis inhibitor
Generic_name:ADMA
Chemical_iupac_name:NG,NG-DIMETHYL-L-ARGININE
Drug_type:Experimental
Kegg_compound_id:C03626
Drugbank_id:EXPT01101
Logp:-3.164
Cas_registry_number:102783-24-4
Drug_category:Nitric Oxide Synthase inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6883±0.00643467
Normalized OD Score: sc h 0.9860±0.0125564
Z-Score: -0.7665±0.693696
p-Value: 0.495656
Z-Factor: -9.07676
Fitness Defect: 0.7019
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.70 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.04227500000000001±0.00068
Plate DMSO Control (-):0.6801±0.01862
Plate Z-Factor:0.9086
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 4
LOPAC 00409 0.9057
RH 01444 0.9057
LOPAC 00422 1.0000
LOPAC 00447 1.0000

nonactive | Cluster 4071 | Additional Members: 12 | Rows returned: 91 2 Next >> 
LOPAC 00681 0.5
LOPAC 01348 0.384615384615385
LOPAC 00411 0.333333333333333
LOPAC 00447 0.333333333333333
LOPAC 00422 0.333333333333333
SPE01500855 0.314285714285714

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