CHEMBL583746


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

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 12
Molecular weight (Da) 609.3

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 7.81 7.81 7.81 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database