CHEMBL5423990


SMILES CCCCC#Cc1nc(N)c2nc(-c3ccco3)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey JFCCLEWBAGSLFT-PRIMNGNOSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 383.2

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
A2B AA2BR Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
A3 AA3R Human Adenosine A pKi 7.81 7.81 7.81 ChEMBL
A1 AA1R Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database