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Compound InformationSONAR Target prediction
Name:

GLUTATHIONE

Unique Identifier:SPE01502248
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:290.19 g/mol
X log p:-2.978  (online calculus)
Lipinksi Failures1
TPSA68.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:11
Canonical Smiles:NC(CCC(=O)NC(CS)C(=O)NCC(O)=O)C(O)=O
Class:amino acid
Source:plant and animal tissue
Reference:Pharm Biol 11: 539 (1968)
Therapeutics:antioxidant
Generic_name:GLUTHATHIONE
Chemical_iupac_name:GLUTHATHIONE
Drug_type:Experimental
Drugbank_id:EXPT01650
Logp:-0.87 +/- 0.74
Drug_category:Hematopoietic Prostagladin D Synthase inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.6961±0.0155563
Normalized OD Score: sc h 0.9698±0.0053476
Z-Score: -1.6018±0.2485
p-Value: 0.114659
Z-Factor: -1.25517
Fitness Defect: 2.1658
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.039724999999999996±0.00061
Plate DMSO Control (-):0.71515±0.01123
Plate Z-Factor:0.9461
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DBLink | Rows returned: 151 2 3 Next >> 
745 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid
118142 disodium 2-amino-4-[[1-(carboxylatomethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoate
124886 (2S)-2-amino-4-[[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid
244110 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid; butane; titanium(+4)
cation
444462 [(1S)-1-carboxy-3-[[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]propyl]azanium
445616 (2R)-2-amino-4-[[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 33 | Additional Members: 4 | Rows returned: 0
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