CHEMBL597730


SMILES C#CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)NC)C[C@H]34)c2n1
InChIKey PLOWTFYCKMBDSF-RSSFEWKTSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 518.2

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 7.63 7.63 7.63 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database