CHEMBL3984266


SMILES CCCCNc1nc(N)c2nc(-c3ccco3)sc2n1
InChIKey OCYRRIUPJYARRC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 289.1

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 7.64 7.64 7.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.09 8.09 8.09 ChEMBL
A1 AA1R Human Adenosine A pKi 7.39 7.39 7.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.73 6.73 6.73 ChEMBL