Bioactive Compound Details

BioIDbio2452
Name(S)-DHPA
ChEMBL IDCHEMBL494759
Molecular FormulaC8H11N5O2
Molecular Weight209.21
Molecular Weight (Monoisotopic)209.0913
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-(1,2-Dihydroxypropyl)Adenine|S-Dihydroxypropyladenine
SmilesNc1ncnc2c1ncn2C[C@H](O)CO
InchiInChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)/t5-/m0/s1
Inchi KeyGSLQFBVNOFBPRJ-YFKPBYRVSA-N
Molecular SpeciesNEUTRAL
Targets44.0
Bioactivities442.0
Np Likeness Score-0.35
Records Key['(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '8 ((S)-DHPA)', '(S)-DHPA', 'DHPA', '(RS)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(s)-DHPA', '(S)-DHPA', '(S)-DHPA', '(s)-DHPA', '(S)-DHPA', '18', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '9a', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '1a, 9-(S)', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA', '(S)-DHPA']
Records Name['3-(6-Amino-purin-9-yl)-propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '9-Propyl-3,9-dihydro-2H-purin-6-ylamine ((S)-9-(2,3-dihydropropyl)adenine, (S)-DHPA)', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(RS)-3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-9-(1,3-dihydroxypropyl)adenine', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-9-(2,3-dihydroxypropyl)adenine', '3-(6-Amino-purin-9-yl)-propane-1,2-diol; (s)-DHPA', '(S)-DHPA3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '9-(2,3-Dihydroxypropyl)-9H-adenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '9-(1,2-dihydroxypropyl)adenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-Amino-purin-9-yl)-propane-1,2-diol', '(S)-3-(6-amino-purin-9-yl)-propane-1,2-diol', '(S)-9-(1,3-dihydroxypropyl)adenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-9-(2,3-dihydroxypropyl)adenine', '(S)-9-(2,3-dihydroxypropyl)adenine', 'S-Dihydroxypropyladenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-9-(2,3-dihydroxypropyl)adenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '3-(6-Amino-purin-9-yl)-propane-1,2-diol[(S)-DHPA]', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol', '(S)-9-(2,3-dihydroxypropyl)adenine', '(S)-3-(6-amino-9H-purin-9-yl)propane-1,2-diol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure