Bioactive Compound Details

BioIDbio2739
NameSARIZOTAN HYDROCHLORIDE
ChEMBL IDCHEMBL2146110
Molecular FormulaC22H22ClFN2O
Molecular Weight384.88
Molecular Weight (Monoisotopic)348.1638
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsEMD 128130|EMD-128130|EMD128130|SARIZOTAN HCL|SARIZOTAN HYDROCHLORIDE|Sarizotan hydrochloride
SmilesCl.Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
InchiInChI=1S/C22H21FN2O.ClH/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21;/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2;1H/t21-;/m1./s1
Inchi KeyQDLVYMYXOLGZOD-ZMBIFBSDSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-0.72
Records Key['SARIZOTAN HYDROCHLORIDE', 'SARIZOTAN HYDROCHLORIDE']
Records Name['SARIZOTAN HYDROCHLORIDE', 'SARIZOTAN HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure