CHEMBL3612932


SMILES CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12
InChIKey CPDWVNNYXONUCC-YWNJHDJRSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 486.1

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 Dog Adenosine A pKi 8.24 8.24 8.24 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.17 8.17 8.17 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.84 5.84 5.84 ChEMBL
A3 AA3R Human Adenosine A pKi 8.96 8.96 8.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database