CHEMBL16894


SMILES CCCCn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1
InChIKey NSGXVWJIQHDYOE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 297.1

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
A2A AA2AR Rat Adenosine A pKi 8.62 8.62 8.62 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
A3 AA3R Human Adenosine A pKi 6.22 6.22 6.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.8 8.8 8.8 ChEMBL
A1 AA1R Human Adenosine A pKi 7.85 7.85 7.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database