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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 141 142 143 144 145 146 147 148 149 150  Next >> [205]
Species: 4932
Condition: MRT4
Replicates: 2
Raw OD Value: r im 0.5124±0.0103238
Normalized OD Score: sc h 0.9545±0.0065698
Z-Score: -1.4964±0.00183328
p-Value: 0.134544
Z-Factor: -17.9994
Fitness Defect: 2.0059
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|H11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2007-08-30 YYYY-MM-DD
Plate CH Control (+):0.040425±0.00100
Plate DMSO Control (-):0.53735±0.07258
Plate Z-Factor:0.5156
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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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