CHEMBL145623


SMILES CC(C)=CCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1
InChIKey PTQDCTWMECJFBE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 309.1

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
A2B AA2BR Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
A3 AA3R Human Adenosine A pKi 6.09 6.29 7.09 ChEMBL
A2A AA2AR Human Adenosine A pKi 9.1 9.1 9.1 ChEMBL
A1 AA1R Human Adenosine A pKi 8.27 8.27 8.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database