CHEMBL123462


SMILES CCCCc1nc2[nH]cnc2c2nc(-c3ccc(N(C)C)cc3)nn12
InChIKey KYKFWXJBEABAMM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 335.2

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
A3 AA3R Human Adenosine A pKi 8.9 8.9 8.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A1 AA1R Human Adenosine A pKi 5.88 5.88 5.88 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.18 5.18 5.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 9.17 9.17 9.17 ChEMBL