Details of the Drug

General Information of Drug (ID: DMSLA8X)

Drug Name

NSFQ-105

Synonyms

154269-12-2; NSFQ-104

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

486.5

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C23H23FN4O5S
IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)F)C(=O)O
InChI: InChI=1S/C23H23FN4O5S/c24-19-11-17-20(28(15-3-4-15)13-18(22(17)29)23(30)31)12-21(19)26-7-9-27(10-8-26)34(32,33)16-5-1-14(25)2-6-16/h1-2,5-6,11-13,15H,3-4,7-10,25H2,(H,30,31)
InChIKey: LHQCNYXFOFNLNV-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	[1]
Staphylococcus Topoisomerase IV (Stap-coc parC)	TTIXTO3	PARC_STAAS	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Engineering the specificity of antibacterial fluoroquinolones: benzenesulfonamide modifications at C-7 of ciprofloxacin change its primary target i... Antimicrob Agents Chemother. 2000 Feb;44(2):320-5.