Bioactive Compound Details

BioIDbio2725
NamePOLIDOCANOL
ChEMBL IDCHEMBL1231723
Molecular FormulaC30H62O10
Molecular Weight582.82
Molecular Weight (Monoisotopic)582.4343
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsASCLERA|POLIDOCANOL|POLYOXYL 9 LAURYL ETHER|Polidocanol|VARITHENA
SmilesCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InchiInChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
Inchi KeyONJQDTZCDSESIW-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets16.0
Bioactivities36.0
Np Likeness Score0.05
Records Key['POLIDOCANOL', 'SID29218048', 'SID170466791', 'SID50111750', 'polidocanol', 'polidocanol', 'POLIDOCANOL', 'SID144205947', 'POLIDOCANOL', 'POLIDOCANOL', 'polidocanol', 'POLIDOCANOL', 'polidocanol']
Records Name['POLIDOCANOL', 'SID29218048', 'SID170466791', 'SID50111750', 'polidocanol', 'polidocanol', 'POLIDOCANOL', 'SID144205947', 'POLIDOCANOL', 'POLIDOCANOL', 'polidocanol', 'POLIDOCANOL', 'polidocanol']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure