CHEMBL2113581


SMILES CCCSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O
InChIKey RBMRAKBRTSQFJZ-DXALFEDPSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 423.2

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 Rat Adenosine A pKi 5.82 5.82 5.82 ChEMBL
A3 AA3R Human Adenosine A pKi 6.16 6.16 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 4.89 4.89 4.89 ChEMBL