CHEMBL3314888


SMILES CCNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12
InChIKey WNENJDQWBOEYHM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 301.1

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 Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.3 7.3 7.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.51 5.51 5.51 ChEMBL
A3 AA3R Human Adenosine A pKi 8.48 8.48 8.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database