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]
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) 4
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 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
CHEMBL136053
CAS Number
378746-64-6
UNII
P94L0PVO94
DrugBank ID
DB06600
TTD ID
D0P0RX
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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