CHEMBL2181141


SMILES Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1
InChIKey QCJSUMWNJLEJCF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 398.2

Drug properties

Molecular type Small molecule
Endogenous/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 5.54 5.54 5.54 ChEMBL
A3 AA3R Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.11 7.11 7.11 ChEMBL
A1 AA1R Human Adenosine A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database