CHEMBL5171042


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccccc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey MNMRRFAISKIFMJ-SLHDEKGNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 468.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pKd 7.83 7.83 7.83 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A1 AA1R Human Adenosine A pKd 7.63 7.63 7.63 ChEMBL
A1 AA1R Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.04 6.04 6.04 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.17 7.17 7.17 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.48 5.48 5.48 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.53 9.53 9.53 ChEMBL