CHEMBL1095812


SMILES CCN1CCC(Nc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIKey XEDRPMHGWQSYFG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 399.2

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 7.9 7.9 7.9 ChEMBL
A1 AA1R Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database