Molecule Details
| InChIKey | FABPRXSRWADJSP-MEDUHNTESA-N |
|---|---|
| Compound Name | Moxifloxacin |
| Canonical SMILES | COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.38 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00218 |
|---|---|
| Drug Name | Moxifloxacin |
| CAS Number | 151096-09-2 |
| Groups | approved investigational |
| ATC Codes | S01AE07 J01MA14 |
| Description | Moxifloxacin is a synthetic fluoroquinolone antibiotic agent. Bayer AG developed the drug (initially called BAY 12-8039) and it is marketed worldwide (as the hydrochloride) under the brand name Avelox (in some countries also Avalox) for oral treatment. |
Categories: 4-Quinolones Anti-Bacterial Agents Anti-Infective Agents Antibacterials for Systemic Use Antiinfectives for Systemic Use Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Fluoroquinolone Antibacterial Fluoroquinolones Heterocyclic Compounds, Fused-Ring Moderate Risk QTc-Prolonging Agents Ophthalmologicals QTc Prolonging Agents Quinolines Quinolone Antimicrobial Quinolones Sensory Organs Topoisomerase II Inhibitors Topoisomerase Inhibitors
Cross-references: BindingDB: 50366824 ChEBI: 63611 CHEMBL32 ChemSpider: 134802 Drugs Product Database (DPD): 12034 C07663 D08237 PDB: MFX PharmGKB: PA450555 PubChem:152946 PubChem:46508509 RxCUI: 139462 Therapeutic Targets Database: DAP000158 Wikipedia: Moxifloxacin ZINC: ZINC000003826253
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0AES4 | gyrA | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 6.5 | IC50 | ChEMBL |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 6.5 | IC50 | ChEMBL |
| P0C1U9 | parC | Staphylococcus aureus | Pathogen | PF03989 PF00521 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P11388 | TOP2A | DNA topoisomerase 2-alpha | inhibitor | targets |
| P27169 | P27169 | Serum paraoxonase/arylesterase 1 | inhibitor | targets |
| P43700 | P43700 | DNA gyrase subunit A | inhibitor | targets |
| P43702 | P43702 | DNA topoisomerase 4 subunit A | inhibitor | targets |
| P0A0K8 | gyrB | DNA gyrase subunit B | modulator | targets |
| P20831 | gyrA | DNA gyrase subunit A | modulator | targets |