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Compound InformationSONAR Target prediction
Name:

S-(1,2-DICARBOXYETHYL)GLUTATHIONE

Unique Identifier:SPE01502216
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C15H23N3O10S
Molecular Weight:414.241 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:NC(CCC(=O)NC(CCSC(CC(O)=O)C(O)=O)C(=O)NCC(O)=O)C(O)=O
Source:rat heart and liver
Reference:Arzneimittel-Forsch 42:1482 (1992)
Therapeutics:antiinflammatory, antiallergy, mast cell degranulation inhibitor

Found: 104 nonactive as graph: single | with analogs [1] << Back 61 62 63 64 65 66 67 68 69 70  Next >> [104]
Species: 4932
Condition: SEC66
Replicates: 2
Raw OD Value: r im 0.5509±0.0169706
Normalized OD Score: sc h 0.9883±0.00375226
Z-Score: -0.4448±0.149584
p-Value: 0.65825
Z-Factor: -146.57
Fitness Defect: 0.4182
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2007-12-07 YYYY-MM-DD
Plate CH Control (+):0.042899999999999994±0.00035
Plate DMSO Control (-):0.545675±0.02396
Plate Z-Factor:0.8030
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 33 | Additional Members: 4 | Rows returned: 3
LOPAC 00664 0.421052631578947
SPE01502248 0.362068965517241
LOPAC 01085 0

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