CHEMBL5187330


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4cccc(OC)c4)ncnc32)[C@H](O)[C@@H]1O
InChIKey RTDGLSRULFVAFC-FUWISXPPSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 498.2

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 pKi 6.85 6.85 6.85 ChEMBL
A1 AA1R Rat Adenosine A pKd 7.62 7.62 7.62 ChEMBL
A1 AA1R Human Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A1 AA1R Human Adenosine A pKd 7.23 7.23 7.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.1 5.1 5.1 ChEMBL
A3 AA3R Human Adenosine A pEC50 5.56 5.56 5.56 ChEMBL
A2A AA2AR Human Adenosine A pEC50 5.2 5.2 5.2 ChEMBL
A1 AA1R Human Adenosine A pEC50 9.88 9.88 9.88 ChEMBL