CHEMBL1950658


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)N[C@H](CC(=O)O)C(=O)O)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey NVFHZJAWBNENJM-QNLLXNTNSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 8
Rotatable bonds 14
Molecular weight (Da) 614.2

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
A2A AA2AR Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A1 AA1R Human Adenosine A pKi 5.93 5.93 5.93 ChEMBL
A3 AA3R Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database