Bioactive Compound Details

BioIDbio2282
NameDROCLIDINIUM BROMIDE
ChEMBL IDCHEMBL2106230
Molecular FormulaC22H32BrNO3
Molecular Weight438.41
Molecular Weight (Monoisotopic)358.2377
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBROMURE DE DROCLIDINIUM|BROMURO DE DROCLIDINIO|DROCLIDINIUM BROMIDE
SmilesC[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)C1CCCCC1)C2.[Br-]
InchiInChI=1S/C22H32NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3;1H/q+1;/p-1
Inchi KeyRBKLLGUTSKKRLX-UHFFFAOYSA-M
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score0.5
Records Key['DROCLIDINIUM BROMIDE']
Records Name['DROCLIDINIUM BROMIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure