CHEMBL5201810


SMILES O=C(CNc1ccccc1)Nc1n[nH]c2cnc(Nc3ccccc3)cc12
InChIKey MYBPJNFBBWLYQS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 358.2

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
A3 AA3R Human Adenosine A pKd 6.31 6.38 6.45 ChEMBL
A3 AA3R Human Adenosine A pKi 9.94 9.94 9.94 ChEMBL
A1 AA1R Human Adenosine A pKi 6.44 6.44 6.44 ChEMBL
A1 AA1R Human Adenosine A pKd 6.55 6.55 6.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.52 8.52 8.52 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.16 8.16 8.16 ChEMBL