CHEMBL4642713


SMILES CCOC(=O)c1ccc(N2CCN(c3nc(N)c4nc(-c5ccco5)sc4n3)CC2)cc1
InChIKey KRHWODOVQMCRFB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 450.1

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
A3 AA3R Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A1 AA1R Human Adenosine A pKi 5.34 5.34 5.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.48 6.48 6.48 ChEMBL