Bioactive Compound Details

BioIDbio200165
NameNone
ChEMBL IDCHEMBL1257108
Molecular FormulaC11H14N5Na4O12P3S
Molecular Weight625.21
Molecular Weight (Monoisotopic)536.9886
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-Methylthioadenosine Triphosphate Tetrasodium
SmilesCc1nc(N)c2ncn([C@@H]3O[C@H](CS)[C@@H](OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H]3O)c2n1.[Na+].[Na+].[Na+].[Na+]
InchiInChI=1S/C11H18N5O12P3S.4Na/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-7(17)8(5(2-32)25-11)26-30(21,22)28-31(23,24)27-29(18,19)20;;;;/h3,5,7-8,11,17,32H,2H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20);;;;/q;4*+1/p-4/t5-,7-,8-,11-;;;;/m1..../s1
Inchi KeyDVJBTMXWTZSGDZ-WHEJUCFXSA-J
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score0.85
Records Key['2-Methylthioadenosine triphosphate tetrasodium']
Records Name['2-Methylthioadenosine triphosphate tetrasodium']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure