Bioactive Compound Details

BioIDbio198525
NameNone
ChEMBL IDCHEMBL223366
Molecular FormulaC20H22N6O5
Molecular Weight426.43
Molecular Weight (Monoisotopic)426.1652
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-(3'-Indolylethyloxy)Adenosine
SmilesNc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InchiInChI=1S/C20H22N6O5/c21-17-14-18(26(9-23-14)19-16(29)15(28)13(8-27)31-19)25-20(24-17)30-6-5-10-7-22-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,22,27-29H,5-6,8H2,(H2,21,24,25)/t13-,15-,16-,19-/m1/s1
Inchi KeyUIPASAROPWUJRQ-NVQRDWNXSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities7.0
Np Likeness Score0.63
Records Key['16', '17, MRS-3534']
Records Name['(2R,3R,4S,5R)-2-(2-(2-(1H-indol-3-yl)ethoxy)-6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol', 2-(3''-indolylethyloxy)adenosine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure