CHEMBL2094083


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC(O)c4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey WOAZCBPWCCREDO-GWHCSZKWSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 438.2

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
A1 AA1R Rat Adenosine A pKi 8.6 8.6 8.6 ChEMBL
A3 AA3R Human Adenosine A pKi 9.38 9.38 9.38 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.51 8.51 8.51 ChEMBL
A1 AA1R Human Adenosine A pKi 8.57 8.57 8.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pEC50 6.96 6.96 6.96 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.96 5.96 5.96 ChEMBL