CHEMBL4204531


SMILES COCC(C)(C)Oc1ccc(N2CCN(CCn3c(=O)n(C)c4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1
InChIKey WTSGLQVSVKYTNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 561.3

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 9.14 9.14 9.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.68 8.99 9.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database