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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] << Back 51 52 53 54 55 56 57 58 59 60  Next >> [205]
Species: 4932
Condition: PEP5
Replicates: 2
Raw OD Value: r im 0.7167±0.00374767
Normalized OD Score: sc h 1.0188±0.00312845
Z-Score: 1.0662±0.216389
p-Value: 0.291956
Z-Factor: -3.12594
Fitness Defect: 1.2312
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-08-14 YYYY-MM-DD
Plate CH Control (+):0.047125±0.00070
Plate DMSO Control (-):0.681575±0.01784
Plate Z-Factor:0.9118
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DBLink | Rows returned: 15<< Back 1 2 3 Next >> 
446684 [(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethyl]sulfanium
448041 2-amino-4-[[(1R)-1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid
448106 (2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-(carboxymethylcarbamoyl)ethanethiolate
3000793 2-amino-4-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-ethyl]carbamoyl]butanoic acid
3014272 2-[(4-amino-4-carboxy-butanoyl)amino]-2-(carboxymethylcarbamoyl)ethanethiolate; mercury(+2) cation
3081751 2-amino-4-[[1-(carboxylatomethylcarbamoyl)-2-sulfido-ethyl]carbamoyl]butanoate; azane; hydrogen(+1)
cation; platinum(+2) cation; chloride

internal high similarity DBLink | Rows returned: 0

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