Bioactive Compound Details

BioIDbio44686
NameCLINDAMYCIN
ChEMBL IDCHEMBL1753
Molecular FormulaC18H33ClN2O5S
Molecular Weight424.99
Molecular Weight (Monoisotopic)424.1799
TypeSmall molecule
Max PhasePhase 4
Target IDTar10
Target NameP2X purinoceptor 7 (P2RX7)
Synonyms7(S)-CHLORO-7-DEOXYLINCOMYCIN|Antirobe|CHLORODEOXYLINCOMYCIN|CHLOROLINCOMYCIN|CLINDAMICINA|CLINDAMYCIN|CLINDAMYCINE|Cleocin|Cleocin T|Clindamycin|Sobelin|U-21,251|U-21251
SmilesCCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(C)C1
InchiInChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1
Inchi KeyKDLRVYVGXIQJDK-AWPVFWJPSA-N
Molecular SpeciesNEUTRAL
Targets323.0
Bioactivities3769.0
Np Likeness Score0.6
Records Key['Clindamycin', 'CLIN', 'Clindamycin', 'CLINDA', 'CLI', '1 (clindamycin)', 'CLI', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'Clindamycin', 'CLI', 'CLI', 'CC', 'CLI', 'Clindamycin', 'Clindamycin', 'clindamycin', 'clindamycin', 'CLI', 'Clindamycin', 'CLIN', 'clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'clindamycin', 'clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'CLI', 'clindamycin', 'clindamycin, CLI', 'clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'Clindamycin', 'clindamycin', 'Clindamycin, CLN', 'clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'CLN', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'CLI', 'clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'CLI', 'CLINDAMYCINE', 'clindamycin', 'CLI', 'Clindamycin', 'CLI', 'CL', 'CLI', 'Clindamycin', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'clindamycin', 'clindamycin', '88', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CD', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clin', 'Clindamycin', 'Clindamycin', '11', 'CLINDAMYCIN', '73', 'Clindamycin', 'CLINDAMYCIN', 'clindamycin', 'Clindamycine', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLI', 'Clindamycin', 'Clindamycin', 'CLI', 'clindamycin', 'CLINDAMYCIN', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'CLINDAMYCIN', 'CLI', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', '2', 'clindamycin', 'clindamycin', 'CLINDAMYCIN', 'Clindamycin', 'Clindamycin hydrochloride脢', 'CLINDAMYCIN HYDROCHLORIDE', 'CLINDAMYCIN', 'Clindamycin', 'CLINDAMYCIN HYDROCHLORIDE', '55', 'Clindamycin Phosphate', 'Clindamycin hydrochloride脗', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'CLI', 'Cln', 'Clindamycin', 'CLINDAMYCIN', 'Clindamycin']
Records Name['Clindamycin', '1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide', '1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide', 'clindamycin', 'Clindamycin', '1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', 'Clindamycin', 'Clindamycin', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', 'Clindamycin', 'Clindamycin', '1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', 'clindamycin', 'Clindamycin', 'Clindamycin', 'Clindamycin', 'clindamycin', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', '(2S,4R)-N-((1S,2R)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', 'Clindamycin', '1-Methyl-4-propyl-pyrrolidine-2-carboxylic acid [2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydro-pyran-2-yl)-propyl]-amide', '(2S,4R)-N-((1S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', 'Clindamycin', '(2S,4R)-N-((1R)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', '(2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide', 'clindamycin', '(2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylthio)-te
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure