CHEMBL259871


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)N4CCN(c5ccccc5)CC4)cc3)cc2n(CCC)c1=O
InChIKey HGCVDYJWBKDNNU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 543.3

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
A2B AA2BR Human Adenosine A pKi 8.18 8.18 8.18 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.62 6.62 6.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database