Bioactive Compound Details

BioIDbio198055
NameNone
ChEMBL IDCHEMBL609824
Molecular FormulaC18H24N5O13P3S
Molecular Weight643.4
Molecular Weight (Monoisotopic)643.0304
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
Synonyms2-[(Phenylethyl)Thio]-Adenosinetriphosphate
SmilesNc1nc(SCCc2ccccc2)nc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InchiInChI=1S/C18H24N5O13P3S/c19-15-12-16(22-18(21-15)40-7-6-10-4-2-1-3-5-10)23(9-20-12)17-14(25)13(24)11(34-17)8-33-38(29,30)36-39(31,32)35-37(26,27)28/h1-5,9,11,13-14,17,24-25H,6-8H2,(H,29,30)(H,31,32)(H2,19,21,22)(H2,26,27,28)/t11-,13-,14-,17?/m1/s1
Inchi KeyAROWJOWYLIPZOC-IKYDMHQPSA-N
Molecular SpeciesACID
Targets3.0
Bioactivities7.0
Np Likeness Score0.54
Records Key['12 (2-[(phenylethyl) thio]-ATP)']
Records Name['2-[(phenylethyl)thio]-Adenosinetriphosphate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure