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Compound InformationSONAR Target prediction
Name:

S-(p-Azidophenacyl)glutathione

Unique Identifier:LOPAC 00664
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H22N6O7S
Molecular Weight:444.295 g/mol
X log p:5.742  (online calculus)
Lipinksi Failures3
TPSA123.01
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:12
Rotatable Bond Count:16
Canonical Smiles:NC(CCC(=O)NC(CSCC(=O)c1ccc(cc1)N=[N+]=[N-])C(=O)NCC(O)=O)C(O)=O
Class:Multi-Drug Resistance
Action:Modulator
Selectivity:Glutathione S-transferase

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 Next >> [24]
Species: 4932
Condition: tep1-2nd
Replicates: 2
Raw OD Value: r im 0.7205±0.0689429
Normalized OD Score: sc h 0.9931±0.0118388
Z-Score: -0.2604±0.446153
p-Value: 0.760386
Z-Factor: -23.1532
Fitness Defect: 0.2739
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-07-07 YYYY-MM-DD
Plate CH Control (+):0.043575±0.00193
Plate DMSO Control (-):0.6548±0.02140
Plate Z-Factor:0.8949
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DBLink | Rows returned: 4
5131 2-amino-4-[[2-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoyl]butanoic
acid
443120 (2S)-2-amino-4-[[(1R)-2-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoy
l]butanoic acid
6394507 [4-[2-[2-[(4-amino-4-carboxy-butanoyl)amino]-2-(carboxymethylcarbamoyl)ethyl]sulfanylacetyl]phenyl]imino
-imino-azanium
6603705 (2R)-2-amino-4-[[(1S)-2-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-1-(carboxymethylcarbamoyl)ethyl]carbamoy
l]butanoic acid

internal high similarity DBLink | Rows returned: 0

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