| Compound Information | SONAR Target prediction |
| Name: | CLARITHROMYCIN |
| Unique Identifier: | SPE01504231 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C38H69NO13 |
| Molecular Weight: | 678.406 g/mol |
| X log p: | -2.127 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 101.99 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 8 |
| 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) (CC(C)C(=O)C(C)C(O)C1(C)O)OC |
| Therapeutics: | antibiotic |
| Generic_name: | Clarithromycin |
| Chemical_iupac_name: | 6-(4-dimethylamino-3-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-14-ethyl-12,13-dihydr oxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-7-methoxy-3,5,7,9,1 1,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C06912 |
| Drugbank_id: | APRD00181 |
| Melting_point: | 217 - 220 oC |
| H2o_solubility: | 0.33 mg/L |
| Logp: | 2.69 |
| Isoelectric_point: | 8.99 |
| Cas_registry_number: | 81103-11-9 |
| Drug_category: | Anti-bacterial Agents; Other Macrolides; ATC:J01FA09 |
| Indication: | For the treatment of Bacterial infection of (Pharyngitis/Tonsillitis, sinusitis, bronchitis, Pneumonia, Uncomplicated skin and skin structure infections ) caused by H.influenzae, M.catarrhalis, M.pneumoniae, S.pneumoniae, C.pneumoniae (TWAR), S.aureus, S. pyogenes, Mycobacterium avium and Mycobacterium intracellulare |
| Pharmacology: | Clarithromycin, a macrolide antibiotic similar to erythromycin and azithromycin, is effective against Mycobacterium avium complex (MAC) and is used for the treatment of Helicobacter pylori-associated peptic ulcer disease, community-acquired pneumonia, sinusitis, and chronic bronchitis. Clarithromycin is also used to treat respiratory tract, sexually transmitted, otitis media, and AIDS-related infections. |
| Mechanism_of_action: | Clarithromycin is first metabolized to 14-OH clarithromycin. Like other macrolides, it then binds to the 50 S subunit of the 70 S ribosome of the bacteria, blocking RNA-mediated bacterial protein synthesis. Clarithromycin also inhibits the hepatic microsomal CYP3A4 isoenzyme and P-glycoprotein, an energy-dependent drug efflux pump. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 101 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [101] |
| Species: | 4932 |
| Condition: | APC9 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6878±0.0106066 |
| Normalized OD Score: sc h | 0.9966±0.00365946 |
| Z-Score: | -0.1882±0.201641 |
| p-Value: | 0.852234 |
| Z-Factor: | -10.1657 |
| Fitness Defect: | 0.1599 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 18 | 1 2 3 Next >> |
| 2778 | 6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-12,13-dihydroxy-4-(5-hydroxy-4-methoxy-6-methyl-oxan -2-yl)oxy-7-methoxy-3,7,9,11,13,14-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 31864 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-6-[(2S,3R, 4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-7-[(2S,4R,5R,6S)-4-dimethylamino-5-hydroxy-6-met hyl-oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 54688 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-12,13-d ihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclo tetradecane-2,10-dione |
| 73657 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-4-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-6-[(2S,3R, 4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-7-[(2S,4R,6S)-4-dimethylamino-5-hydroxy-6-methyl -oxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 84020 | (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-12 ,13-dihydroxy-14-(1-hydroxyethyl)-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-7-meth oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| 84029 | (3R,4S,5S,6R,7R,9R,11R,12R,13R,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-14 -ethyl-12,13-dihydroxy-4-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl]oxy-7-methoxy-3,5,7,9 ,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500281 | 0.9604 |
| active | Cluster 14145 | Additional Members: 11 | Rows returned: 1 |
| SPE01501176 | 0.195652173913043 |
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