Bioactive Compound Details

BioIDbio3295
NameLURASIDONE HYDROCHLORIDE
ChEMBL IDCHEMBL1615372
Molecular FormulaC28H37ClN4O2S
Molecular Weight529.15
Molecular Weight (Monoisotopic)492.2559
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsLURASIDONE HCL|LURASIDONE HYDROCHLORIDE|Latuda|SM-13496
SmilesCl.O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
InchiInChI=1S/C28H36N4O2S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./s1
Inchi KeyNEKCRUIRPWNMLK-SCIYSFAVSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities4.0
Np Likeness Score-0.78
Records Key['LURASIDONE HYDROCHLORIDE', 'LURASIDONE HYDROCHLORIDE', 'LURASIDONE HCL', 'LURASIDONE HYDROCHLORIDE', 'Lurasidone HCl', 'Lurasidone HCl', 'LURASIDONE HYDROCHLORIDE']
Records Name['LURASIDONE HYDROCHLORIDE', 'LURASIDONE HYDROCHLORIDE', 'LURASIDONE HCL', 'LURASIDONE HYDROCHLORIDE', 'Lurasidone HCl', 'Lurasidone HCl', 'LURASIDONE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure