CHEMBL4294888


SMILES Nc1nc2c(cnn2CCCc2ccc(OCC(=O)NCCCCNC(=O)CCCCCNC(=O)COc3ccc(/C=C/C4=[N+]5C(=Cc6ccc(-c7cccs7)n6[B-]5(F)F)C=C4)cc3)cc2)c2nc(-c3ccco3)nn12
InChIKey HBQGBAGFDWWJPZ-QGOAFFKASA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 4
Rotatable bonds 25
Molecular weight (Da) 1048.4

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 Mouse Adenosine A pKi 8.68 8.68 8.68 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.61 7.61 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.89 6.89 6.89 ChEMBL