CHEMBL3350613


SMILES CC(C)(C)OC(=O)C1CCCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChIKey UYYUHWSVKOGLPA-QZDLMFANSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 582.3

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
A2A AA2AR Rat Adenosine A pKi 8.66 8.66 8.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.89 6.89 6.89 ChEMBL
A3 AA3R Human Adenosine A pKi 8.62 8.62 8.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A1 AA1R Human Adenosine A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.21 5.21 5.21 ChEMBL