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 41 42 43 44 45 46 47 48 49 50  Next >> [104]
Species: 4932
Condition: MT2481-pdr1pdr3-1st
Replicates: 2
Raw OD Value: r im 0.6227±0.00516188
Normalized OD Score: sc h 0.9950±0.00156181
Z-Score: -0.2349±0.0626743
p-Value: 0.814472
Z-Factor: -549.202
Fitness Defect: 0.2052
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2008-01-25 YYYY-MM-DD
Plate CH Control (+):0.039775000000000005±0.00032
Plate DMSO Control (-):0.612625±0.01361
Plate Z-Factor:0.9299
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 33 | Additional Members: 4 | Rows returned: 0
Service provided by the Mike Tyers Laboratory