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Compound InformationSONAR Target prediction
Name:

NALIDIXIC ACID

Unique Identifier:SPE01500756
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:220.14 g/mol
X log p:5.375  (online calculus)
Lipinksi Failures1
TPSA49.74
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CCN1C=C(C(O)=O)C(=O)c2ccc(C)nc12
Source:synthetic
Therapeutics:antibacterial
Generic_name:Nalidixic Acid
Chemical_iupac_name:1-ethyl-7-methyl-4-oxo-[1,8]naphthyridine-3-carboxylic acid
Drug_type:Approved Drug
Pharmgkb_id:PA450583
Kegg_compound_id:C05079
Drugbank_id:APRD01133
Melting_point:229.5 oC
H2o_solubility:100 mg/L
Logp:0.949
Isoelectric_point:8.6
Cas_registry_number:08/02/389
Drug_category:Anti-Infective Agents; Enzyme Inhibitors; ATC:J01MB02
Indication:For the treatment of urinary tract infections caused by susceptible gram-negative
microorganisms, including the majority of E. Coli, Enterobacter
species, Klebsiella species, and Proteus species.
Pharmacology:Nalidixic acid is a quinolone antibacterial agent for oral administration. Nalidixic
acid has marked antibacterial activity against gram-negative bacteria including
Enterobacter species, Escherichia coli, Morganella Morganii;
Proteus Mirabilis, Proteus vulgaris, and Providencia rettgeri.
Pseudomonas species are generally resistant to the drug. Nalidixic acid is
bactericidal and is effective over the entire urinary pH range. Conventional
chromosomal resistance to nalidixic acid taken in full dosage has been reported to
emerge in approximately 2 to 14 percent of patients during treatment; however,
bacterial resistance to nalidixic acid has not been shown to be transferable via R
factor.
Mechanism_of_action:Evidence exists that the active metabolite, hydroxynalidixic acid, binds strongly,
but reversibly, to DNA, interfering with synthesis of RNA and, consequently, with
protein synthesis.
Organisms_affected:Enteric bacteria and other eubacteria

Found: 45 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [45]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7360±0.0110309
Normalized OD Score: sc h 0.9344±0.0147064
Z-Score: -4.0391±0.862711
p-Value: 0.000304514
Z-Factor: -0.473314
Fitness Defect: 8.0968
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09075±0.00528
Plate DMSO Control (-):0.9765±0.05304
Plate Z-Factor:0.9169
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DBLink | Rows returned: 5
4421 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
27477 sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
3864541 sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
3996620 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
6420028 sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate hydrate

internal high similarity DBLink | Rows returned: 2
LOPAC 01087 1.0000
RJC 03974 1.0000

active | Cluster 13339 | Additional Members: 8 | Rows returned: 2
LAT003C10 0.379310344827586
LOPAC 01087 0.285714285714286

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