bepafant


SMILES O=C(C1Cc2c(C1)c1c(s2)n2c(C)nnc2CN=C1c1ccccc1Cl)N1CCOCC1
InChIKey FWYVRZOREBYLCY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 467.1

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
A2B AA2BR Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.06 6.06 6.06 ChEMBL
A1 AA1R Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database