CHEMBL141154


SMILES CCn1cc2c(nc(NC(=O)Nc3cccc(Cl)c3)n3nc(-c4ccco4)nc23)n1
InChIKey NWAXVCISHHAARQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 422.1

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 5.55 5.55 5.55 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
A3 AA3R Human Adenosine A pKi 6.04 8.5 8.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.73 6.74 6.75 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.57 5.57 5.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.82 7.83 7.83 ChEMBL