CHEMBL3898647


SMILES COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1OC
InChIKey MRNAGDNRGKXOJA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 397.1

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
A3 AA3R Human Adenosine A pKi 6.08 6.08 6.08 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
A1 AA1R Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.02 7.02 7.02 ChEMBL