CHEMBL3121728


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCCCN4CCN(Cc5ccccc5Cl)CC4)cc3)nc2n(C)c1=O
InChIKey ACDUFNNGCHAONI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 522.2

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 9.77 9.77 9.77 ChEMBL
A3 AA3R Human Adenosine A pKi 8.16 8.16 8.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.92 9.92 9.92 ChEMBL
A1 AA1R Human Adenosine A pKi 8.73 8.73 8.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database