Bioactive Compound Details

BioIDbio3004
NameVESATOLIMOD
ChEMBL IDCHEMBL2424780
Molecular FormulaC22H30N6O2
Molecular Weight410.52
Molecular Weight (Monoisotopic)410.243
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsGS-9620|VESATOLIMOD
SmilesCCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)CC(=O)N2
InchiInChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
Inchi KeyVFOKSTCIRGDTBR-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets12.0
Bioactivities37.0
Np Likeness Score-0.97
Records Key['5, GS-9620', '3; GS-9620', 'VESATOLIMOD', 'VESATOLIMOD', 'VESATOLIMOD', 'Vesatolimod', 'Vesatolimod', 'Vesatolimod', 'COVC-1208897871', 'GS-9620']
Records Name['4-amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-one', '4-amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5H)-one', 'VESATOLIMOD', 'VESATOLIMOD', 'VESATOLIMOD', 'Vesatolimod', 'Vesatolimod', 'Vesatolimod', 'GS-9620', '4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure