CHEMBL6146782


SMILES CCCCC#Cc1nc(N)c2nc(-c3ccco3)n([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1
InChIKey NNSNEBHCFZYLRN-RBGFHWGBSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 393.2

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 pKi 6.9 6.9 6.9 ChEMBL
A1 AA1R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.36 8.36 8.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database