CHEMBL376968


SMILES CCCCC[C@H](O)C#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1
InChIKey PWUXIWBJRPNBHD-CRFWSCARSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 460.2

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 5.07 5.07 5.07 ChEMBL
A3 AA3R Human Adenosine A pKi 9.27 9.27 9.27 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A1 AA1R Human Adenosine A pKi 8.51 8.51 8.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database