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]
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
CHEBI:32071
CAS Number
123447-62-1
DrugBank ID
DB11892
TTD ID
DR36YB

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Androgen receptor (AR) OTUBKAZZ ANDR_HUMAN Protein Interaction/Cellular Processes [3]
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.
3 Identifying environmental chemicals as agonists of the androgen receptor by using a quantitative high-throughput screening platform. Toxicology. 2017 Jun 15;385:48-58. doi: 10.1016/j.tox.2017.05.001. Epub 2017 May 4.