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Compound InformationSONAR Target prediction
Name:

Cefepime hydrochloride

Unique Identifier:Prest1089
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C19ClH28N6O6S2
Molecular Weight:509.841 g/mol
X log p:0.158  (online calculus)
Lipinksi Failures0
TPSA139
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:8
Canonical Smiles:[ClH-].O.CON=C(C(=O)NC1C2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C(O)=O)c1csc(N)n
1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 732.0000±0
Normalized OD Score: sc h 0.9964±0
Z-Score: -0.0813±0
p-Value: 0.935238
Z-Factor: -15.4216
Fitness Defect: 0.067
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:14|H9
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.60 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):666±537.71391
Plate DMSO Control (-):769.5±270.43450
Plate Z-Factor:-41.4809
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DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
5353492 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahydropyrrol
-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5464190 (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahyd
ropyrrol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
5464262 (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahyd
ropyrrol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride hydrate
hydrochloride
5464263 (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahyd
ropyrrol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
5479537 (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahyd
ropyrrol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
5491294 (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahyd
ropyrrol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride hydrochloride

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 437 | Additional Members: 14 | Rows returned: 131 2 3 Next >> 
SPE01505360 0.431372549019608
SPE01505208 0.411764705882353
Prest1094 0.4
SPE01504175 0.393617021276596
Prest1090 0.367816091954023
SPE01505637 0.354838709677419

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