Details of the Drug

General Information of Drug (ID: DMZEONG)

Drug Name

Finafloxacin

Synonyms

Finafloxacin hydrochloride; Antibacterial (Helicobacter pylori infection/ bacterial urinary tract infection), Combinature; Finafloxacin (iv, bacterial infection), MerLion/Alcon; Finafloxacin (oral, bacterial infection), MerLion/Alcon

Indication

Disease Entry	ICD 11	Status	REF
Urinary tract infection	GC08	Approved	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

398.4

Topological Polar Surface Area (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 4: low solubility and low permeability [3]
Clearance: The drug present in the plasma can be removed from the body at the rate of 5.75 mL/min/kg [4]
Half-life: The concentration or amount of drug in body reduced by one-half in 13.42 hours [4]
Unbound Fraction: The unbound fraction of drug in plasma is 0.75% [4]
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 1.42 L/kg [4]

Chemical Identifiers

Formula: C20H19FN4O4
IUPAC Name: 7-[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4C[C@H]5[C@H](C4)OCCN5)F)C(=O)O
InChI: InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1
InChIKey: FYMHQCNFKNMJAV-HOTGVXAUSA-N

Cross-matching ID

PubChem CID: 11567473
ChEBI ID: CHEBI:85176
CAS Number: 209342-40-5
DrugBank ID: DB09047
TTD ID: D01IXD
ACDINA ID: D01077

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], [5]
Staphylococcus Topoisomerase IV (Stap-coc parC)	TTIXTO3	PARC_STAAS	Modulator	[1], [5]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Sodium chloride	E00077	5234	Diluent; Tonicity agent
Water	E00035	962	Solvent
Magnesium chloride	E00479	5360315	Viscosity-controlling agent
Hydroxyethyl cellulose	E00700	Not Available	Coating agent; Suspending agent; Binding agent; Viscosity-controlling agent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Finafloxacin 0.3% suspension	0.30%	Suspension	Otic

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
4	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
5	Antibacterial activity of finafloxacin under different pH conditions against isogenic strains of Escherichia coli expressing combinations of defined mechanisms of fluoroquinolone resistance.J Antimicrob Chemother.2010 Dec;65(12):2530-3.
6	Grepafloxacin, a dimethyl derivative of ciprofloxacin, acts preferentially through gyrase in Streptococcus pneumoniae: role of the C-5 group in tar... Antimicrob Agents Chemother. 2002 Feb;46(2):582-5.
7	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
8	In vitro and in vivo antibacterial activity of T-3912, a novel non-fluorinated topical quinolone. J Antimicrob Chemother. 2002 Mar;49(3):455-65.
9	Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
10	2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
11	DNA gyrase and topoisomerase IV are dual targets of zabofloxacin in Streptococcus pneumoniae.Int J Antimicrob Agents.2010 Jul;36(1):97-8.