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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: 171 2 3 Next >> 
2622 7-[[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-carboxylate
2623 7-[[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
68606 (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahydropyr
rol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
68607 (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahydropyr
rol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
71343 (6R,7R)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(1-methyl-2,3,4,5-tetrahydropyr
rol-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid chloride hydrate
hydrochloride
5353490 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-carboxylate

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 437 | Additional Members: 14 | Rows returned: 13<< Back 1 2 3 Next >> 
LOPAC 00780 0.347368421052632
SPE01503111 0.340425531914894
SPE01502033 0.289156626506024
Prest1000 0.289156626506024
LOPAC 00795 0
Prest823 0

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