CHEMBL551373


SMILES Nc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIKey MPXGXZJPDNLULM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 310.1

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
A2B AA2BR Human Adenosine A pKi 6.35 6.35 6.35 ChEMBL
A3 AA3R Human Adenosine A pKi 5.83 5.83 5.83 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.15 8.15 8.15 ChEMBL
A1 AA1R Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database