Bioactive Compound Details

BioIDbio198146
NameNone
ChEMBL IDCHEMBL1257013
Molecular FormulaC18H21N5O4
Molecular Weight371.4
Molecular Weight (Monoisotopic)371.1594
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsN6-2-Phenylethyladenosine
SmilesOC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InchiInChI=1S/C18H21N5O4/c24-8-12-14(25)15(26)18(27-12)23-10-22-13-16(20-9-21-17(13)23)19-7-6-11-4-2-1-3-5-11/h1-5,9-10,12,14-15,18,24-26H,6-8H2,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
Inchi KeyLGZYEDZSPHLISU-SCFUHWHPSA-N
Molecular SpeciesNEUTRAL
Targets24.0
Bioactivities52.0
Np Likeness Score0.5
Records Key['13', '3', 'N-(2-phenylethyl)ado', '37a', '13', '3', 'SID46500333', '10', 'SID56463317', 'NCGC00094316-01', 'N6-2-Phenylethyladenosine', '8', '4', '8']
Records Name['2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', '2-Hydroxymethyl-5-(6-phenethylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', 'SID46500333', '(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(phenethylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol', 'SID56463317', 'N6-2-Phenylethyladenosine', '(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(phenethylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol', '(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(phenethylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol', 'N6-(2-phenylethyl)-adenosine', '(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(phenethylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure