| Compound Information | SONAR Target prediction |
| Name: | CLINDAMYCIN HYDROCHLORIDE |
| Unique Identifier: | SPE01500193 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 427.174 g/mol |
| X log p: | 0.00899999999999979 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 54.84 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 8 |
| Canonical Smiles: | Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C1OC(SC)C(O)C(O)C1O |
| Source: | semisynthetic; U-21251 |
| Therapeutics: | antibacterial, inhibits protein synthesis |
| Generic_name: | Clindamycin |
| Chemical_iupac_name: | N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)-propyl]-1-met hyl-4-propyl-pyrrolidine-2-carboxamide |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449035 |
| Kegg_compound_id: | C06914 |
| Drugbank_id: | APRD00566 |
| Melting_point: | 255 oC |
| H2o_solubility: | 30.6 mg/L |
| Logp: | 1.224 |
| Cas_registry_number: | 18323-44-9 |
| Drug_category: | Anti-bacterial Agents; Lincomycins; ATC:D10AF01; ATC:G01AA10; ATC:J01FF01 |
| Indication: | For the treatment of serious infections caused by susceptible anaerobic bacteria (anaerobes, streptococci, pneumococci, and staphylococci) |
| Pharmacology: | Clindamycin is an antibiotic, similar to and a derivative of lincomycin. Clindamycin can be used in topical or systemic treatment. It is effective as an anti-anaerobic antibiotic and antiprotozoal. |
| Mechanism_of_action: | Systemic/Vaginal-Clindamycin inhibits protein synthesis of bacteria by binding to the 50 S ribosomal subunits of the bacteria. Topical-Clindamycin reduces free fatty acid concentrations on the skin and to suppress the growth of Propionibacterium acnes (Corynebacterium acnes) , an anaerobe found in sebaceous glands and follicles. |
| Organisms_affected: | Enteric bacteria and other eubacteria |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7252±0.00714178 |
| Normalized OD Score: sc h | 0.9956±0.00285371 |
| Z-Score: | -0.2375±0.157039 |
| p-Value: | 0.81341 |
| Z-Factor: | -23.8853 |
| Fitness Defect: | 0.2065 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 43 | 1 2 3 4 5 6 7 8 Next >> |
| 2786 | N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-1-methyl-4-propyl-pyrrolidine-2-carbo xamide |
| 24714 | N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-4-pentyl-pyrrolidine-2-carboxamide hydrochloride |
| 24715 | N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-4-pentyl-pyrrolidine-2-carboxamide |
| 29029 | (2S,4R)-N-[2-chloro-1-[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-methyl-4-p ropyl-pyrrolidine-2-carboxamide |
| 30644 | (2R)-N-[(2S)-2-chloro-1-[(3S,6R)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-methyl-4-propyl-2 ,3,4,5-tetrahydropyrrole-2-carboxamide chloride |
| 36310 | (2R)-N-[(2S)-2-chloro-1-[(3S,6R)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-4-pentyl-2,3,4,5-te trahydropyrrole-2-carboxamide chloride |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 915 | Additional Members: 6 | Rows returned: 0 |
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