CHEMBL3416811


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N4CCN(c5ccc(OCC(=O)OCC)cc5)CC4)nc32)[C@H](O)[C@@H]1O
InChIKey GATMPFQLRGDCAR-UGCAPWQASA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 570.3

Drug properties

Molecular type Small molecule
Endogenous/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 6.36 6.36 6.36 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A1 AA1R Human Adenosine A pKi 7.12 7.12 7.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 7.13 7.13 7.13 ChEMBL