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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

398.4

Logarithm of the Partition Coefficient (xlogp)

-0.7

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

BDDCS Class: Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 4: low solubility and low permeability [2]
Clearance: The drug present in the plasma can be removed from the body at the rate of 5.75 mL/min/kg [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 13.42 hours [3]
Unbound Fraction: The unbound fraction of drug in plasma is 0.75% [3]
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 [3]

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

Repurposed Drugs (RPD)

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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)

MIA Detail

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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

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References

1	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
2	BDDCS predictions, self-correcting aspects of BDDCS assignments, BDDCS assignment corrections, and classification for more than 175 additional drugs
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds