CHEMBL3416810


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCCCc6ccccc6)cc5)CC4)nc32)[C@H](O)[C@@H]1O
InChIKey GDLSEFIWYFWPFI-YRIIQKNPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 602.3

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 7.21 7.21 7.21 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.79 7.79 7.79 ChEMBL
A1 AA1R Human Adenosine A pKi 8.44 8.44 8.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.41 6.41 6.41 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.57 7.57 7.57 ChEMBL