Bioactive Compound Details

BioIDbio197121
NameDEOXYADENOSINE
ChEMBL IDCHEMBL449329
Molecular FormulaC10H13N5O3
Molecular Weight251.25
Molecular Weight (Monoisotopic)251.1018
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2'-Deoxyadenosine
SmilesNc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
InchiInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
Inchi KeyOLXZPDWKRNYJJZ-RRKCRQDMSA-N
Molecular SpeciesNEUTRAL
Targets44.0
Bioactivities92.0
Np Likeness Score1.05
Records Key['dAdo', '4c', '24', Beta-2'-d-Ado", '11a', '48', 'dA', 'Deoxy Adenosine', "2'deoxyadenosine", "beta-L-2' -deoxyadenosine", 'dAdo', "2'-Deoxyadenosine", 'dA', 'dAdo', '50', '99', 'DEOXYADENOSINE', '1a', '2-deoxy-L-adenosine', "2'-Deoxyadenosine", '2', 'dAde', '445']"
Records Name['5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', 2'deoxyadenosine", '(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol', "2'-deoxyadenosine (dAdo)", "2'-Deoxyadenosine", "2'-deoxyadenosine", 'deoxyadenosine', '(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol', "2'-Deoxyadenosine", 'DEOXYADENOSINE', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', '5-(6-Amino-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol', "2'-Deoxyadenosine", "2'-deoxyadenosine", 'DehydroxyAdenosine', "2'-Deoxyadenosine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure