Bioactive Compound Details

BioIDbio2485
NameNone
ChEMBL IDCHEMBL392577
Molecular FormulaC27H17NOS
Molecular Weight403.51
Molecular Weight (Monoisotopic)403.1031
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms10-(9-Anthrylcarbonyl)Phenothiazine
SmilesO=C(c1c2ccccc2cc2ccccc12)N1c2ccccc2Sc2ccccc21
InchiInChI=1S/C27H17NOS/c29-27(26-20-11-3-1-9-18(20)17-19-10-2-4-12-21(19)26)28-22-13-5-7-15-24(22)30-25-16-8-6-14-23(25)28/h1-17H
Inchi KeyGEDDVJWUHICGPI-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities6.0
Np Likeness Score-0.54
Records Key['23', 'anthrylcarbonylphenothiazine']
Records Name['anthracen-10-yl(10H-phenothiazin-10-yl)methanone', '10-(9-anthrylcarbonyl)phenothiazine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure