CHEMBL2113046


SMILES c1ccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)cc1
InChIKey SLLSODGWHDUMRG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 320.2

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 7.43 7.43 7.43 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.11 5.11 5.11 ChEMBL
A1 AA1R Human Adenosine A pKi 5.65 5.65 5.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database