CHEMBL5091876


SMILES Nc1nc(SCc2ncc[nH]2)nc(-c2ccccc2)n1
InChIKey XYPHNPGHZMKQGS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 284.1

Drug properties

Molecular type Unknown
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 5.42 5.42 5.42 ChEMBL
A1 AA1R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.25 6.25 6.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.09 6.09 6.09 ChEMBL