Details of the Drug

General Information of Drug (ID: DMHXTAQ)

Drug Name
Pazufloxacin
Synonyms
127045-41-4; T-3761; UNII-4CZ1R38NDI; 4CZ1R38NDI; NCGC00167534-01; DSSTox_CID_26697; DSSTox_RID_81831; DSSTox_GSID_46697; Pazufloxacin [INN]; SMR000466380; CCRIS 7312; CAS-127045-41-4; T 3761; 127046-18-8; PZFX; Pazufloxacin (JAN/INN); SCHEMBL34460; 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-; MLS000759513; MLS001424116; CHEMBL240163; DTXSID5046697; CHEBI:94700; HY-B0724B; HMS2051B05; HMS2090H07; BCP12954; LSM-5745; RKL10069; ZINC3779726; Tox21_112531; BDBM50248017; MFCD00865012; AKOS015900451; Tox21_112531_1; AC-3506; CCG-100919; DB11774; GM-1171; KS-5008; NC00169; NCGC00167534-02; (-)-(3S)-10-(1-Aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid; 7H-Pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-, (S)-; AB0012715; D01153; AB00639918-07; AB00639918-09; AB00639918_10; Pazufloxacin, VETRANAL(TM), analytical standard; SR-01000759348; J-005457; Q3898423; SR-01000759348-4; (S)-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; (S)-10-(1-aminocyclopropyl)-9-fluoro-3-methyl-7-oxo2,3-dihydro-7H-pyrido[1,2,3-de][1,4]benzoxazine-6-carboxylic acid; 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-; 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylicacid,10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-
Indication
Disease Entry ICD 11 Status REF
Conjunctivitis 9A60 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 318.3
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 4.87 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 2.1 hours [2]
Unbound Fraction
The unbound fraction of drug in plasma is 0.79% [2]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.68 L/kg [2]
Chemical Identifiers
Formula
C16H15FN2O4
IUPAC Name
(2S)-6-(1-aminocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Canonical SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2C4(CC4)N)F)C(=O)O
InChI
InChI=1S/C16H15FN2O4/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22/h4-5,7H,2-3,6,18H2,1H3,(H,21,22)/t7-/m0/s1
InChIKey
XAGMUUZPGZWTRP-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
65957
ChEBI ID
CHEBI:94700
CAS Number
127045-41-4
DrugBank ID
DB11774
TTD ID
D05STQ

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 [3]
Bacterial DNA topoisomerase 4A (Bact parC) TTFK8YB PARC_ECOLI Inhibitor [3]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03696342) Efficacy of the Ophthalmic Pazufloxacin 0.6% for Bacterial Conjunctivitis, Compared to Gatifloxacin 0.3%. (PRO-157). U.S. National Institutes of Health.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Target preference of 15 quinolones against Staphylococcus aureus, based on antibacterial activities and target inhibition. Antimicrob Agents Chemother. 2001 Dec;45(12):3544-7.
4 Possible involvement of P-glycoprotein in renal excretion of pazufloxacin in rats. Eur J Pharmacol. 2004 Oct 6;501(1-3):151-9.