CHEMBL220334


SMILES CCCCCc1ccc(C#Cc2nc(NOC)c3ncn([C@@H]4O[C@H](C(=O)NC)[C@@H](O)[C@H]4O)c3n2)cc1
InChIKey LLIROBBEBWFIPT-UGCAPWQASA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 494.2

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 7.26 7.26 7.26 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.5 4.5 4.5 ChEMBL
A1 AA1R Human Adenosine A pKi 4.32 4.32 4.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database