nemonoxacin   Click here for help

GtoPdb Ligand ID: 10836

Synonyms: Taigexyn® | TG-873870 | TG873870
Approved drug
nemonoxacin is an approved drug (Taiwan (2014))
Compound class: Synthetic organic
Comment: Nemonoxacin is a non-fluorinated quinolone antibiotic with broad-spectrum activity against Gram-positive and Gram-negative bacteria and atypical pathogens, including methicillin-resistant S. aureus (MRSA) and vancomycin-resistant pathogens [1-2]. It selectively inhibits bacterial DNA topoisomerase (DNA gyrase) activity.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 97.79
Molecular weight 371.18
XLogP 4.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)N
Isomeric SMILES COc1c(ccc2c1n(cc(c2=O)C(=O)O)C1CC1)N1C[C@@H](C)C[C@@H](C1)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
InChI Key AVPQPGFLVZTJOR-RYUDHWBXSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (Taiwan (2014))
IUPAC Name Click here for help
7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
8789 nemonoxacin
Synonyms Click here for help
Taigexyn® | TG-873870 | TG873870
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 158
Other databases
CAS Registry No. 378746-64-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL1213456
DrugBank Ligand DB06600
DrugCentral Ligand 5079
GtoPdb PubChem SID 405560277
PubChem CID 11993740
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