Bioactive Compound Details

BioIDbio3044
NameOSORESNONTRINE
ChEMBL IDCHEMBL4206492
Molecular FormulaC16H17N5O2
Molecular Weight311.35
Molecular Weight (Monoisotopic)311.1382
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBI 409306|BI-409306|OSORESNONTRINA|OSORESNONTRINE|SUB 166499
SmilesO=c1[nH]c(Cc2ccccn2)nc2c1cnn2C1CCOCC1
InchiInChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
Inchi KeyBZTIJCSHNVZMES-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities3.0
Np Likeness Score-1.86
Records Key['OSORESNONTRINE', 'BI-409306', '51', '44; BI 409306']
Records Name['OSORESNONTRINE', '6-(pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one', '6-(pyridin-2-ylmethyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one', '6-(2-pyridylmethyl)-1-tetrahydropyran-4-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure