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Compound InformationSONAR Target prediction
Name:

Pivampicillin

Unique Identifier:Prest1280
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22H29N3O6S
Molecular Weight:436.334 g/mol
X log p:8.274  (online calculus)
Lipinksi Failures1
TPSA115.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:10
Canonical Smiles:CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c1ccccc1)C2=O

Found: 1 active | as graph: single | with analogs
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 9843.0000±0
Normalized OD Score: sc h 0.8340±0
Z-Score: -4.6191±0
p-Value: 0.00000385384
Z-Factor: -3.34171
Fitness Defect: 12.4664
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|E10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):22091.5±7532.35178
Plate DMSO Control (-):12139.5±7461.51552
Plate Z-Factor:-5.4357
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DBLink | Rows returned: 5
33477 2,2-dimethylpropanoyloxymethyl
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-
2-carboxylate hydrochloride
33478 2,2-dimethylpropanoyloxymethyl
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-
2-carboxylate
126935 2,2-dimethylpropanoyloxymethyl
(2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-car
boxylate
4490793 2,2-dimethylpropanoyloxymethyl
6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
6604391 2,2-dimethylpropanoyloxymethyl
(2S,5R,6R)-6-[[(2S)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-
2-carboxylate

internal high similarity DBLink | Rows returned: 0

active | Cluster 15024 | Additional Members: 10 | Rows returned: 2
Prest1097 0.426470588235294
Prest1304 0.407407407407407

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