CHEMBL574612


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 580.2

Drug properties

Molecular type Small molecule
Endogenous/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 8.51 8.51 8.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.01 6.01 6.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database