CHEMBL583745


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCC(=O)NCCCCN)nc31)[C@H](O)[C@@H]2O
InChIKey DIQKIIUQVZHRFM-SDSNXHIZSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 11
Molecular weight (Da) 594.2

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 Rat Adenosine A pKi 8.06 8.06 8.06 ChEMBL
A3 AA3R Human Adenosine A pKi 8.68 8.68 8.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database