Details of the Drug

General Information of Drug (ID: DM0S9Z1)

Drug Name

Nemonoxacin

Synonyms

Nemonoxacin; 378746-64-6; UNII-P94L0PVO94; TG-873870; P94L0PVO94; Nemonoxacin [INN]; 7-((3S,5S)-3-amino-5-methylpiperidin-1-yl)-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 7-[(3S,5S)-3-Amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; SCHEMBL1006373; CHEMBL1213456; CHEBI:136053; ZINC40435195; SB16570; FT-0700967; 7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4- oxo-1,4-dihydroquinoline-3-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Community-acquired pneumonia	CA40.Z	Approved	[1]
infection associated with diabetic foot ulcers	BD54	Phase 3	[2]
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ATC Code

J01MB08: Nemonoxacin

J01MB: Other quinolones

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): 0

Molecular Weight (mw)

371.4

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Clearance: The drug present in the plasma can be removed from the body at the rate of 3.8 mL/min/kg [3]
Half-life: The concentration or amount of drug in body reduced by one-half in 13.5 hours [3]
Unbound Fraction: The unbound fraction of drug in plasma is 0.84% [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 1.9 L/kg [3]

Chemical Identifiers

Formula: C20H25N3O4
IUPAC Name: 7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
Canonical SMILES: C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N
InChI: InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1
InChIKey: AVPQPGFLVZTJOR-RYUDHWBXSA-N

Cross-matching ID

PubChem CID: 11993740
ChEBI ID: CHEBI:136053
CAS Number: 378746-64-6
UNII: P94L0PVO94
DrugBank ID: DB06600
TTD ID: D0P0RX

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Nemonoxacin: first global approval. Drugs. 2014 Aug;74(12):1445-53.
2	TaiGen Biotechnology Announces Submission of New Drug Application for Nemonoxacin in Taiwan and Mainland China. TaiGen Biotechnology Co., Ltd. May 16, 2013.
3	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds