Bioactive Compound Details

BioIDbio200597
NameTHIAMPHENICOL
ChEMBL IDCHEMBL1236282
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.23
Molecular Weight (Monoisotopic)355.0048
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsARMAI|Dextrosulphenidol|NSC-522822|THIAMPHENICOL|THIAMPHENICOL AMINOACETATE HYDROCHLORIDE|TIANFENICOL|Thiophenicol|WIN 5063-2|WIN-5063-2
SmilesCS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
InchiInChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1
Inchi KeyOTVAEFIXJLOWRX-NXEZZACHSA-N
Molecular SpeciesNEUTRAL
Targets155.0
Bioactivities715.0
Np Likeness Score-0.15
Records Key['Thiamphenicol', '1b', 'SID56320856', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'Thiamphenicol', 'SID170465845', 'SID174006195', 'Thiamphenicol', 'SID144204128', 'SID144208014', 'THIAMPHENICOL', 'Thiamphenicol', 'Thiamphenicol', 'THIAMPHENICOL', 'THIAMPHENICOL', 'Thiamphenicol', 'thiamphenicol', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'COVC-3894776402', 'THIAMPHENICOL', 'thiamphenicol', 'BA1000668']
Records Name['2,2-Dichloro-N-[2-hydroxy-1-hydroxymethyl-2-(4-methanesulfonyl-phenyl)-ethyl]-acetamide (thiamphenicol)', '2,2-Dichloro-N-[2-hydroxy-1-hydroxymethyl-2-(4-methanesulfonyl-phenyl)-ethyl]-acetamide', 'SID56320856', 'Thiamphenicol', 'THIAMPHENICOL', 'THIAMPHENICOL', 'Thiamphenicol', 'SID170465845', 'SID174006195', 'Thiamphenicol', 'SID144204128', 'SID144208014', 'THIAMPHENICOL', '2,2-Dichloro-N-[2-hydroxy-1-hydroxymethyl-2-(4-methanesulfonyl-phenyl)-ethyl]-acetamide (thiamphenicol)', 'Thiamphenicol', 'THIAMPHENICOL', 'THIAMPHENICOL', 'Thiamphenicol', 'thiamphenicol', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'THIAMPHENICOL', 'thiamphenicol', 'THIAMPHENICOL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure