Bioactive Compound Details

BioIDbio200179
NameBETA-2'-C-METHYL-7-DEAZA-ADENOSINE
ChEMBL IDCHEMBL236207
Molecular FormulaC12H16N4O4
Molecular Weight280.28
Molecular Weight (Monoisotopic)280.1172
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsNone
SmilesC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc2c(N)ncnc21
InchiInChI=1S/C12H16N4O4/c1-12(19)8(18)7(4-17)20-11(12)16-3-2-6-9(13)14-5-15-10(6)16/h2-3,5,7-8,11,17-19H,4H2,1H3,(H2,13,14,15)/t7-,8-,11-,12-/m1/s1
Inchi KeyIRZRJANZDIOOIF-GAJNKVMBSA-N
Molecular SpeciesNEUTRAL
Targets28.0
Bioactivities50.0
Np Likeness Score1.26
Records Key['1', '9', 2'CMe-7-deaza-adenosine", '29, MK-608', '22', '3, MK-0608', "2'-C-Me 7-deaza A", '2', 'Fig 1, Cpd 3', 'MK-0608b', '7DMA', '14', 'MMV1593519', '7-DMA']"
Records Name[beta-2'-C-methyl-7-deaza adenosine", '(3R,4R,5R)-2-(4-Amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '(2R,3R,4R,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol', "2'-C-methyl-7-deaza adenosine", "7-Deaza-2'-C-methyladenosine", "7-deaza-2'-C-methyladenosine", '(2R,3R,4R,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol', "2'-C-methyl-7-deaza-adenosine", "7-Deaza-2'-C-methyladenosine", "7-Deaza-2'-C-methyladenosine", "7-Deaza-2'-C-methyladenosine", '(2R,3R,4R,5R)-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol', 'C0088753', "7-deaza-2'-C-methyladenosine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure