Details of the Drug

General Information of Drug (ID: DM2LFYD)

Drug Name

KB-5246

Synonyms

9,1-Epoxymethano-7-fluoro-8-(4-methyl-1-piperazinyl)-5-oxo-5H-thiazolo[3,2-a]quinoline-4-carboxylic acid hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

425.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C18H17ClFN3O4S
IUPAC Name: 6-fluoro-5-(4-methylpiperazin-1-yl)-9-oxo-3-oxa-12-thia-14-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4(15),5,7,10-pentaene-10-carboxylic acid;hydrochloride
Canonical SMILES: CN1CCN(CC1)C2=C(C=C3C4=C2OCC5=CSC(=C(C3=O)C(=O)O)N54)F.Cl
InChI: InChI=1S/C18H16FN3O4S.ClH/c1-20-2-4-21(5-3-20)14-11(19)6-10-13-16(14)26-7-9-8-27-17(22(9)13)12(15(10)23)18(24)25;/h6,8H,2-5,7H2,1H3,(H,24,25);1H
InChIKey: YNPLQSCXSPGFPU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA gyrase (Bact gyrase)	TTN6J5F	GYRA_STAAU ; GYRB_STAAU	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000463)
2	Activity of KB-5246 against outer membrane mutants of Escherichia coli and Salmonella typhimurium.. Antimicrob Agents Chemother. 1990 July; 34(7): 1323-1325.