CHEMBL3891806


SMILES Cn1cc2c(nc(NC(=O)Nc3ccc(CC(=O)NCCOOCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)n1
InChIKey YZODOEYKVKCETQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 17
Molecular weight (Da) 951.3

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 Human Adenosine A pKi 7.02 7.02 7.02 ChEMBL
A3 AA3R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database