Bioactive Compound Details

BioIDbio2818
NameELZASONAN HYDROCHLORIDE
ChEMBL IDCHEMBL3989805
Molecular FormulaC22H24Cl3N3OS
Molecular Weight484.88
Molecular Weight (Monoisotopic)447.0939
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCP-448,187-01|CP-448187-01|ELZASONAN HCL|ELZASONAN HYDROCHLORIDE|Elzasonan Hydrochloride
SmilesCN1CCN(c2ccccc2/C=C2\SCCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1.Cl
InchiInChI=1S/C22H23Cl2N3OS.ClH/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;/h2-7,14-15H,8-13H2,1H3;1H/b21-14-;
Inchi KeyNMTRXBJYASHMND-UXTSPRGOSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.47
Records Key['ELZASONAN HYDROCHLORIDE', 'ELZASONAN HYDROCHLORIDE']
Records Name['ELZASONAN HYDROCHLORIDE', 'ELZASONAN HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure