CHEMBL559990


SMILES CCCOc1cncc2[nH]c3c(=O)n(CCC)c(=O)n(CCC)c3c12
InChIKey LMDJIXVWEXHGAT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 344.2

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
A3 AA3R Human Adenosine A pKi 8.42 8.42 8.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
A1 AA1R Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 6.46 6.46 6.46 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 6.79 6.79 6.79 PDSP Ki database
A3 AA3R Human Adenosine A pKi 8.42 8.42 8.42 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database