CHEMBL2181161


SMILES Cn1cc2c(nc(NC3CCCCC3)n3nc(-c4ccco4)nc23)n1
InChIKey PCCALFXKADAFFG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 337.2

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
A2B AA2BR Human Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A3 AA3R Human Adenosine A pKi 8.07 8.07 8.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A1 AA1R Human Adenosine A pKi 6.78 6.78 6.78 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database