| Compound Information | SONAR Target prediction |
| Name: | AZITHROMYCIN |
| Unique Identifier: | SPE01503679 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C38H72N2O12 |
| Molecular Weight: | 676.413 g/mol |
| X log p: | -2.25 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 78.93 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C) (O)CC(C)CN(C)C(C)C(O)C1(C)O |
| Therapeutics: | antibacterial |
| Generic_name: | Azithromycin |
| Chemical_iupac_name: | 11-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10-trihydroxy-13-(5 -hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-a zacyclopentadecan-15-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448519 |
| Kegg_compound_id: | C06838 |
| Drugbank_id: | APRD00397 |
| Melting_point: | 113-115 oC |
| H2o_solubility: | slight |
| Logp: | 2.461 |
| Isoelectric_point: | 8.74 |
| Cas_registry_number: | 83905-01-5 |
| Drug_category: | Anti-bacterial Agents; Other Macrolides; ATC:J01FA10 |
| Indication: | For the treatment of patients with mild to moderate infections caused by susceptible strains of the designated microorganisms in the specific conditions: H. influenzae, M.catarrhalis, S.pneumoniae, C.pneumoniae, .M.pneumoniae, S.pyogenes, S.aureus, S.agal |
| Pharmacology: | Azithromycin, a semisynthetic antibiotic belonging to the macrolide subgroup of azalides, is used to treat STDs due to chlamydia and gonorrhea, community-acquired pneumonia, pelvic inflammatory disease, pediatric otitis media and pharyngitis, and Mycobacterium avium complex (MAC) in patients with advanced HIV disease. Similar in structure to erythromycin. azithromycin reaches higher intracellular concentrations than erythromycin, increasing its efficacy and duration of action. |
| Mechanism_of_action: | Azithromycin binds to the 50S subunit of the 70S bacterial ribosomes, and therefore inhibits RNA-dependent protein synthesis in bacterial cells. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 114 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [114] |
| Species: | 4932 |
| Condition: | NPR1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.9299±0.0274357 |
| Normalized OD Score: sc h | 0.9196±0.0283681 |
| Z-Score: | -1.1197±0.53994 |
| p-Value: | 0.296916 |
| Z-Factor: | -0.893719 |
| Fitness Defect: | 1.2143 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 9 | 1 2 Next >> |
| 2269 | 11-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4 ,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one |
| 55185 | (2R,3R,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-et hyl-3,4,10-trihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12,14- heptamethyl-1-oxa-6-azacyclopentadecan-15-one |
| 370511 | (4R,5R,14R)-11-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy -4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one |
| 441190 | (2R,3R,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-2-et hyl-3,4,10-trihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12,14- heptamethyl-1-oxa-6-azacyclopentadecan-15-one dihydrate |
| 447043 | (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy- 2-ethyl-3,4,10-trihydroxy-13-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-3,5,6,8,10,12 ,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one |
| 456416 | (2R,3R,4R,5R,8R,10R,11R,12S,13S,14R)-11-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-2-ethyl-3,4,10 -trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azac yclopentadecan-15-one |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 14145 | Additional Members: 11 | Rows returned: 1 |
| SPE01501176 | 0.195652173913043 |
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