CHEMBL4215754


SMILES COCCOc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5nccs5)nc43)CC2)cc1F
InChIKey CQEIDBVNJDOWJV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 568.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 9.36 9.36 9.36 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.82 9.11 9.4 ChEMBL
A1 AA1R Human Adenosine A pKi 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database