CHEMBL378367


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(N)CCCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey CQPKMYIGFLVCFM-GRXQJBFDSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 457.2

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 7.57 7.57 7.57 ChEMBL
A1 AA1R Human Adenosine A pKi 6.14 6.14 6.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.13 5.13 5.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database