Details of the Drug

General Information of Drug (ID: DMOK965)

Drug Name
Prulifloxacin
Synonyms
123447-62-1; NM441; NM 441; NM-441; Prulifloxacin (hydrochloride); 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; NCGC00164615-01; Quisnon; DSSTox_CID_26480; DSSTox_RID_81651; DSSTox_GSID_46480; 1H,4H-(1,3)Thiazeto(3,2-a)quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)-1-piperazinyl)-4-oxo-; 1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-; 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; Prulifloxacin [INN]; Pruvel; Sword; 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)piperazin-1-yl)-4-oxo-1H,4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; CCRIS 7686; CAS-123447-62-1; Pufloxacin dioxolil; 6-fluoro-1-methyl-7-{4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl}-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid; MLS006011767; CHEMBL422648; NAD-441A; OPT-99; SCHEMBL1650794; DTXSID0046480; CHEBI:32071; AOB5600; BCP12727; HY-B0024; Tox21_112235; BBL034010; MFCD00864847; s2071; STK626148; AKOS005559236; Prulifloxacin (NM441, AF 3013); Tox21_112235_1; AC-2012; DB11892; MCULE-8435182996; SB18983; NCGC00164615-02; NCGC00164615-03; (+-)-7-(4-((Z)-2,3-Dihydroxy-2-butenyl)-1-piperazinyl)-6-fluoro-1-methyl-4-oxo-1H,4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid, cyclic carbonate; AK144730; AS-13607; I926; SMR000046722; AB0013936; FT-0651733; P2058; Prulifloxacin 100 microg/mL in Acetonitrile; K-1771; 447P621; Prulifloxacin, >=98% (perchloric acid titration); SR-01000872596; Prulifloxacin, Antibiotic for Culture Media Use Only; Q-101929; Q3924793; SR-01000872596-1; BRD-A92341659-001-01-6
Indication
Disease Entry ICD 11 Status REF
Urinary tract infection GC08 Approved [1]
ATC Code
J01MA17: Prulifloxacin
J01MA: Fluoroquinolones
J01M: QUINOLONE ANTIBACTERIALS
J01: ANTIBACTERIALS FOR SYSTEMIC USE
J: ANTIINFECTIVES FOR SYSTEMIC USE
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 461.5
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 11
Chemical Identifiers
Formula
C21H20FN3O6S
IUPAC Name
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
Canonical SMILES
CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C
InChI
InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
InChIKey
PWNMXPDKBYZCOO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65947
ChEBI ID
CHEMBL32071
CAS Number
123447-62-1
UNII
J42298IESW
DrugBank ID
DB11892
TTD ID
DR36YB
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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 Inhibitor [1]
Bacterial DNA topoisomerase 4A (Bact parC) TTFK8YB PARC_ECOLI Inhibitor [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Serum paraoxonase/arylesterase 1 (PON1)
Main DME 		DESDN74 PON1_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Prulifloxacin: a new antibacterial fluoroquinolone. Expert Rev Anti Infect Ther. 2006 Feb;4(1):27-41.
2 Paraoxonases-1, -2 and -3: what are their functions? Chem Biol Interact. 2016 Nov 25;259(Pt B):51-62.