Bioactive Compound Details

BioIDbio3300
NameZIPRASIDONE HYDROCHLORIDE
ChEMBL IDCHEMBL1375743
Molecular FormulaC21H24Cl2N4O2S
Molecular Weight467.42
Molecular Weight (Monoisotopic)412.1125
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCP-88,059-1|CP-88059-1|CP-880591|GEODON|ZELDOX|ZIPRASIDONE HYDROCHLORIDE|ZIPRASIDONE HYDROCHLORIDE HYDRATE|ZIPRASIDONE HYDROCHLORIDE MONOHYDRATE
SmilesCl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
InchiInChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2
Inchi KeyZCBZSCBNOOIHFP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities25.0
Np Likeness Score-1.57
Records Key['SID90340940', 'ZIPRASIDONE HYDROCHLORIDE', 'ZIPRASIDONE HYDROCHLORIDE', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride']
Records Name['SID90340940', 'ZIPRASIDONE HYDROCHLORIDE', 'ZIPRASIDONE HYDROCHLORIDE', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride', 'ZIPRASIDONE HYDROCHLORIDE', 'Ziprasidone hydrochloride']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure