MRS2957


SMILES CO/N=c\1/ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@@H]([C@@H]1O)O)COP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)O)n1ccc(=O)[nH]c1=O)O)O)O
InChIKey SIKKMGJHOOQSAP-AOUMTEFLSA-N

Chemical properties

Hydrogen bond acceptors 20
Hydrogen bond donors 9
Rotatable bonds 13
Molecular weight (Da) 739.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.8 7.8 7.8 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.21 7.21 7.21 ChEMBL