CHEMBL4214450


SMILES CCCn1c(=O)[nH]c2nc(-c3ccc(OCC(=O)NCCCC4=C5C(C)=CC(C)=[N+]5[B-](F)(F)n5c(C)cc(C)c54)cc3)[nH]c2c1=O
InChIKey VYDNOKLVKMWEMB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 631.3

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 5.67 5.67 5.67 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.78 6.78 6.78 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.94 7.94 7.94 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database