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

Compound InformationSONAR Target prediction
Name:

Talampicillin hydrochloride

Unique Identifier:Prest1304
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24ClH24N3O6S
Molecular Weight:495.808 g/mol
X log p:16.887  (online calculus)
Lipinksi Failures1
TPSA115.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:9
Rotatable Bond Count:7
Canonical Smiles:Cl.CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)OC1OC(=O)c2ccccc12

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 622.0000±0
Normalized OD Score: sc h 0.8158±0
Z-Score: -4.1524±0
p-Value: 0.000032899
Z-Factor: -3.73076
Fitness Defect: 10.3221
Bioactivity Statement: Active
Experimental Conditions
Library:Prestwick
Plate Number and Position:13|E11
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.50 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):727.5±605.08760
Plate DMSO Control (-):773±261.27974
Plate Z-Factor:-83.4256
png
ps
pdf

DBLink | Rows returned: 6
5373 (3-oxo-1H-isobenzofuran-1-yl)
6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
39480 (3-oxo-1H-isobenzofuran-1-yl)
(5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbox
ylate
71446 (3-oxo-1H-isobenzofuran-1-yl)
(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
71447 (3-oxo-1H-isobenzofuran-1-yl)
(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
6604402 [(1R)-3-oxo-1H-isobenzofuran-1-yl]
(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
11979863 (3-oxo-1H-isobenzofuran-1-yl)
(2R,5R,6S)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-car
boxylate

internal high similarity DBLink | Rows returned: 0

active | Cluster 15024 | Additional Members: 10 | Rows returned: 2
Prest1097 0.426470588235294
Prest1280 0.323943661971831

Service provided by the Mike Tyers Laboratory