CHEMBL1962813


SMILES NCC1CCC(CNc2nc(N)n3nc(-c4ccco4)nc3n2)CC1
InChIKey DSFBIWXVQUICPJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 342.2

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 Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A1 AA1R Human Adenosine A pKi 5.87 5.87 5.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 4.97 4.97 4.97 ChEMBL