Bioactive Compound Details

BioIDbio197265
NameNone
ChEMBL IDCHEMBL1256972
Molecular FormulaC11H14N5Na3O10P2S
Molecular Weight539.24
Molecular Weight (Monoisotopic)473.0171
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Methylthioadenosine Diphosphate Trisodium
SmilesCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)c2n1.[Na+].[Na+].[Na+]
InchiInChI=1S/C11H17N5O10P2S.3Na/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
Inchi KeyDYNGCIHMNWOBSU-MSQVLRTGSA-K
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.81
Records Key['2-Methylthioadenosine diphosphate trisodium']
Records Name['2-Methylthioadenosine diphosphate trisodium']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure