ozenoxacin   Click here for help

GtoPdb Ligand ID: 10841

Synonyms: Ozadub® | T-3912 | T3912 | Xepi®
Approved drug
ozenoxacin is an approved drug (FDA (2017))
Compound class: Synthetic organic
Comment: Ozenoxacin is a non-fluorinated quinolone antibiotic.
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 84.22
Molecular weight 363.16
XLogP 5.46
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1
Isomeric SMILES CNc1ncc(cc1C)c1ccc2c(c1C)n(cc(c2=O)C(=O)O)C1CC1
InChI InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)
InChI Key XPIJWUTXQAGSLK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name Click here for help
1-cyclopropyl-8-methyl-7-[5-methyl-6-(methylamino)pyridin-3-yl]-4-oxoquinoline-3-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
8788 ozenoxacin
Synonyms Click here for help
Ozadub® | T-3912 | T3912 | Xepi®
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 157
Other databases
CAS Registry No. 245765-41-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL3990047
DrugBank Ligand DB12924
DrugCentral Ligand 5058
GtoPdb PubChem SID 405560282
PubChem CID 9863827
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