CHEMBL4165484


SMILES COc1cccc(CNc2nc(N)c3nc(-c4ccc(C)o4)sc3n2)c1
InChIKey XWYPEXLMRBPAJM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 367.1

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
A1 AA1R Human Adenosine A pKi 7.16 7.16 7.16 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A3 AA3R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.92 6.92 6.92 ChEMBL