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 |
Species: |
4932 |
Condition: |
GBP2 |
Replicates: |
2 |
Raw OD Value: r im |
0.7274±0.0137179 |
Normalized OD Score: sc h |
1.0057±0.00162132 |
Z-Score: |
0.2433±0.0638394 |
p-Value: |
0.807934 |
Z-Factor: |
-22.8099 |
Fitness Defect: |
0.2133 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.10 Celcius | Date: | 2008-03-26 YYYY-MM-DD | Plate CH Control (+): | 0.040925±0.00168 | Plate DMSO Control (-): | 0.68175±0.01888 | Plate Z-Factor: | 0.8849 |
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6914098 |
N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl)propyl]-1-ethyl-4-propyl-pyrrolidine-2-carbox amide |
7048641 |
(2R,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-me thyl-4-propyl-2,3,4,5-tetrahydropyrrole-2-carboxamide |
7048642 |
(2R,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-me thyl-4-propyl-pyrrolidine-2-carboxamide |
7048643 |
(2R,4S)-N-[(1S,2R)-2-chloro-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-me thyl-4-propyl-2,3,4,5-tetrahydropyrrole-2-carboxamide |
7048644 |
(2R,4S)-N-[(1S,2R)-2-chloro-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-me thyl-4-propyl-pyrrolidine-2-carboxamide |
7048645 |
(2S,4R)-N-[(1S,2R)-2-chloro-1-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-me thyl-4-propyl-2,3,4,5-tetrahydropyrrole-2-carboxamide |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 915 | Additional Members: 6 | Rows returned: 0 | |
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