Bioactive Compound Details

BioIDbio2249
NameMIANSERIN HYDROCHLORIDE
ChEMBL IDCHEMBL544428
Molecular FormulaC18H21ClN2
Molecular Weight300.83
Molecular Weight (Monoisotopic)264.1626
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBOLVIDON|MIANSERIN HCL|MIANSERIN HYDROCHLORIDE|NORVAL|NSC-759590|ORG GB 94|ORG-GB 94|TETRAMIDE
SmilesCN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl
InchiInChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
Inchi KeyYNPFMWCWRVTGKJ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets56.0
Bioactivities1030.0
Np Likeness Score-0.64
Records Key['MIANSERIN HYDROCHLORIDE', 'NCGC00094086-01', 'mianserin hydrochloride', 'SID26747564', 'SID50106565', 'SID56422499', 'SID50106566', 'MIANSERIN HYDROCHLORIDE', 'SID50106567', 'MIANSERIN HYDROCHLORIDE', 'Mianserine hydrochloride', 'Mianserin hydrochloride', 'SID855534', 'MIANSERIN HYDROCHLORIDE', 'MIANSERIN HYDROCHLORIDE', 'MIANSERIN HYDROCHLORIDE', 'EUB0000994aCl', 'EUB0000994aCl', 'EUB0000994aCl', 'EUB0000994aCl']
Records Name['MIANSERIN HYDROCHLORIDE', 'Mianserin hydrochloride', '2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,e]cycloheptene hydrochloride', 'SID26747564', 'SID50106565', 'SID56422499', 'SID50106566', 'MIANSERIN HYDROCHLORIDE', 'SID50106567', 'MIANSERIN HYDROCHLORIDE', 'Mianserine hydrochloride', 'Mianserin hydrochloride', 'SID855534', 'MIANSERIN HYDROCHLORIDE', 'MIANSERIN HYDROCHLORIDE', 'MIANSERIN HYDROCHLORIDE', 'Mianserin', 'Mianserin', 'Mianserin', 'Mianserin']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure