CHEMBL3314922


SMILES O=C(O)c1cnc(NCC2CCCCC2)n2nc(-c3ccco3)nc12
InChIKey INYVMKRWJFKMDL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 341.1

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
A2A AA2AR Human Adenosine A pKi 4.47 4.47 4.47 ChEMBL
A1 AA1R Human Adenosine A pKi 5.56 5.56 5.56 ChEMBL
A3 AA3R Human Adenosine A pKi 4.8 4.8 4.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database