Home | Screening data | Screen comparisons | Search for compounds | Structure search

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 1 2 3 4 5 6 7 8 9 10  Next >> [104]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6820±0.0039598
Normalized OD Score: sc h 0.9881±0.000259168
Z-Score: -0.6111±0.0113031
p-Value: 0.541128
Z-Factor: -2.81051
Fitness Defect: 0.6141
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00181
Plate DMSO Control (-):0.6716±0.01301
Plate Z-Factor:0.9280
png
ps
pdf

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

Service provided by the Mike Tyers Laboratory