CHEMBL361925


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1
InChIKey SSGCBXCKJQWPJL-NIQZGXKPSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 560.1

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
A1 AA1R Human Adenosine A pKi 6.51 6.51 6.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.3 8.3 8.3 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.65 5.65 5.65 ChEMBL
A3 AA3R Human Adenosine A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 8.8 8.8 8.8 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.89 6.07 6.25 ChEMBL
A2A AA2AR Rat Adenosine A pEC50 8.17 8.17 8.17 ChEMBL