Bioactive Compound Details

BioIDbio470
NameNone
ChEMBL IDCHEMBL73809
Molecular FormulaC11H15N5O4
Molecular Weight281.27
Molecular Weight (Monoisotopic)281.1124
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms2'-C-Methyl Adenosine|2'-C-Methyladenosine|2'-Methyl-Adenosine|2-C-Methyl Adenosine|Beta-2'-Methyladenosine
SmilesC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21
InchiInChI=1S/C11H15N5O4/c1-11(19)7(18)5(2-17)20-10(11)16-4-15-6-8(12)13-3-14-9(6)16/h3-5,7,10,17-19H,2H2,1H3,(H2,12,13,14)/t5-,7-,10-,11-/m1/s1
Inchi KeyPASOFFRBGIVJET-YRKGHMEHSA-N
Molecular SpeciesNEUTRAL
Targets31.0
Bioactivities93.0
Np Likeness Score1.42
Records Key[2'-Me-Ado", '1', "2'CMeA", "2''-Me-Ado", '1', "2''-beta-C-Methyl adenosine", "5 (2'-Me-Ado)", '1', '11', "2'CmeA", "2'-Me-Ado", "2'-C-Me-A", "2 (2'-Me-Ado)", "2'-CCH3-A", '2-C-methyl adenosine', "2'CMA", '2', '1', '2 mA', '4', "2'-C-beta-Me-A", "2'-C-methyladenosine", "2'-C-Me-A", '2', "2'-C-Methyladenosine", '2', "2'-C-Me A"]"
Records Name['2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', 2'-C-methyladenosine", "2'-methyl-adenosine", '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '(3R,4R,5R)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', "2'-C-methyladenosine", '(2R,3R,4R,5R)-5-Hydroxymethyl-3-methyl-2-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol', "2'-methyl-adenosine", '(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol', "2'-C-methyladenosine", '(2R,3R,5R)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '(R)-2-(6-Amino-purin-9-yl)-5-hydroxymethyl-3-methyl-tetrahydro-furan-3,4-diol', '2-C-methyl adenosine', "2'-C-methyl adenosine", "2'-C-methyladenosine", "beta-2'-Methyladenosine", "2'-C-methyl adenosine", "2'-C-Methyladenosine", "2'-C-beta-methyladenosine", "2'-C-methyladenosine", "2'-C-methyl adenosine", '(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol', "2'-C-Methyladenosine", "2'-C-methyladenosine", '(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)-3-methyltetrahydrofuran-3,4-diol']"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure