| Compound Information | SONAR Target prediction |
| Name: | FLUCONAZOLE |
| Unique Identifier: | SPE01503975 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 294.176 g/mol |
| X log p: | 14.037 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 55.92 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F |
| Source: | synthetic |
| Therapeutics: | antifungal |
| Generic_name: | Fluconazole |
| Chemical_iupac_name: | 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449653 |
| Kegg_compound_id: | C07002 |
| Drugbank_id: | APRD00327 |
| Melting_point: | 138 - 140 oC |
| H2o_solubility: | 1 mg/L |
| Logp: | 2.174 |
| Cas_registry_number: | 86386-73-4 |
| Drug_category: | Antifungals; ATC:D01AC15; ATC:J02AC01 |
| Indication: | For the treatment of fungal infections. |
| Pharmacology: | Fluconazole, a synthetic antifungal agent of the imidazole class, is used to treat vaginal candidiasis. |
| Mechanism_of_action: | Fluconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Fluconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis. |
| Organisms_affected: | Fungi |
| Found: 11 active | as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> |
| Species: | 4932 |
| Condition: | MT2481-pdr1pdr3 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.0985±0.00855599 |
| Normalized OD Score: sc h | 0.1418±0.0125906 |
| Z-Score: | -27.2476±0.233609 |
| p-Value: | 0 |
| Z-Factor: | 0.0491897 |
| Fitness Defect: | INF |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 3 |
| 3365 | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| 450062 | 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol |
| 16051940 | sodium 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol chloride |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 5626 | Additional Members: 1 | Rows returned: 0 |
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