CHEMBL4167502


SMILES C#CCN(CCCCCNc1nc(N)n2nc(-c3ccco3)nc2n1)C(=O)c1ccc(S(=O)(=O)F)cc1
InChIKey KGDQUCQGDCWHAI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 526.2

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 Human Adenosine A pKi 8.41 8.62 8.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.1 6.1 6.1 ChEMBL