CHEMBL3907658


SMILES COc1cccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)c1
InChIKey MTOYSMRCARGHKF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 367.1

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 Human Adenosine A pKi 7.77 7.77 7.77 ChEMBL
A1 AA1R Human Adenosine A pKi 9.04 9.04 9.04 ChEMBL
A3 AA3R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.33 7.33 7.33 ChEMBL