Molecule Details
| InChIKey | ZRCVYEYHRGVLOC-HYARGMPZSA-N |
|---|---|
| Compound Name | Gemifloxacin |
| Canonical SMILES | CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.37 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01155 |
|---|---|
| Drug Name | Gemifloxacin |
| CAS Number | 175463-14-6 |
| Groups | approved investigational |
| ATC Codes | J01MA15 |
| Description | Gemifloxacin is a quinolone antibacterial agent with a broad-spectrum activity that is used in the treatment of acute bacterial exacerbation of chronic bronchitis and mild-to-moderate pneumonia. It is available in oral formulations. Gemifloxacin acts by inhibiting DNA synthesis through the inhibitio... |
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 (strength unknown) Cytochrome P-450 Enzyme Inhibitors Enzyme Inhibitors Fluoroquinolones Heterocyclic Compounds, Fused-Ring Moderate Risk QTc-Prolonging Agents Naphthyridines QTc Prolonging Agents Quinolines Quinolone Antimicrobial Quinolones Topoisomerase II Inhibitors Topoisomerase Inhibitors
Cross-references: BindingDB: 50178917 ChEBI: 101853 CHEMBL430 ChemSpider: 7845573 Drugs Product Database (DPD): 13299 D08012 PharmGKB: PA10088 PubChem:9571107 PubChem:46507905 RxCUI: 138099 Therapeutic Targets Database: DAP000851 Wikipedia: Gemifloxacin
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0C1U9 | parC | Staphylococcus aureus | Pathogen | PF03989 PF00521 | 6.5 | IC50 | ChEMBL;BindingDB |
| P0AES4 | gyrA | Escherichia coli (strain K12) | Pathogen | PF03989 PF00521 | 6.3 | IC50 | ChEMBL;BindingDB |
| P0AES6 | gyrB | Escherichia coli (strain K12) | Pathogen | PF00204 PF00986 PF21249 PF18053 PF02518 PF01751 | 6.3 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| 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 |