CHEMBL1180559


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCN4CCCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey ADUIJXDMGJPFBW-CKXMCULTSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 614.3

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
A1 AA1R Guinea pig Adenosine A pKi 6.58 6.58 6.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 10.1 10.1 10.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database