Bioactive Compound Details

BioIDbio2713
NameADENOSINE
ChEMBL IDCHEMBL477
Molecular FormulaC10H13N5O4
Molecular Weight267.25
Molecular Weight (Monoisotopic)267.0968
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-.BETA.-D-RIBOFURANOSYLADENINE|ADENOCARD|ADENOCOR|ADENOSCAN|ADENOSINE|Adenosine|NSC-7652|SR 96225|SR-96225
SmilesNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InchiInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Inchi KeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
Molecular SpeciesNEUTRAL
Targets217.0
Bioactivities725.0
Np Likeness Score1.31
Records Key['Adenosine', 'adenosine', 'Adenosine', 'Adenosine', 'adenosine', '(+/-)-C-Ado', 'Adenosine', 'Adenosine', '42', 'Adenosine', '1', 'arabinosyladenine', 'adenosine', '17', 'Adenosine', '1', 'Alpha-Ado', 'Adenosine', 'Adenosine', 'adenosine', 'Adennsine', 'Adenosine', 'Adenosine', 'Adenosine', 'Adenosine, Ado', 'adenosine', 'ADO', 'Adenosine', 'Adenosine', 'Adenosine', '5a', '1a', 'Adenosine', 'Adenosine', '4 (adenosine)', '1', 'SID90341699', '37', 'Adenosine', 'Adenosine', 'Adenosine', 'adenosine', '1a', 'Adenosine', '1', '2', '3', 'Adenosine', '13', '(+)-C-Ado', 'Adenosine', 'adenosine', 'Adenosine', '(Adenosine) table 1', 'Adenosine', '1a', 'XIV', '26, 100036965', 'Ado', 'Adenosine', '(-)-C-Ado', '1', 'Adenosine', 'Adenosine', 'Ara A', 'adenosine', 'Adenosine', '3', 'SID26751564', 'adenosine', 'Adn, adenosine', 'Adenosine', 'Adenosine', '5', 'adenosine', '2', 'Adenosine', 'Adenosine', 'beta araA', 'adenosine', 'Adenosine', 'Adenosine', 'adenosine', 'Adenosine', 'Adenosine', 'Adenosine', 'Adenosine', 'Adenosine', 'SID855932', 'ADENOSINE', 'SID144204442', 'adenosine', 'SID170465447', 'adenosine', 'adenosine', 'Adenosine', 'SID50104175', 'Adenosine', '4', 'Ado', 'Adenosine', 'Adenosine', 'Adonosine', '30', 'Adenosine脗', 'Adenosine', 'Adenosine', 'adenosine', 'Adenosine', 'adenosine', 'Adenosine', 'Adenosine', 'ADENOSINE', 'Adenosine', '2', 'ADENOSINE', 'ADENOSINE', 'adenosine', '1', 'Adenosine', '8', 'COVC-1212748839', '13', '4', 'Adenosine', 'XII, ADE', 'Adenosine', 'adenosine', 'Adenosine', '1a', 'Adenosine', 'Adenosine', 'ADENOSINE', 'ADO', 'R11', 'Adenosine', 'Adenosine', 'Adenosine脢', 'ADENOSINE', 'ADENOSINE', 'Adenosine', '6', '1460', 'Adenosine', 'Adenosine', 'Adenosine', 'Adenosine', 'Adenosine', '19', '26', '1', 'AR-1', 'Adenosine', '35', '1', 'ADENOSINE', 'ADENOSINE', '1', 'Adenosine', 'ADENOSINE', 'Ade', 'Adenosine', 'Adenosine', 'EUB0000891a', '1', 'adenosine', 'Adenosine', '1a', 'EUB0000891a', 'EUB0000891a', '60961', '1', 'Adenosine', '444']
Records Name['2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (Adenosine)', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(Beta)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (adenosine)', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', 'Adenosine', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (adenosine)', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol', '(2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '(2R,3R,4S,5R)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol (Adenosine)', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol', 'SID90341699', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-tetrahy
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure