CHEMBL5088305


SMILES N#Cc1c(-c2ccccc2)cc(SCc2ncc[nH]2)nc1N
InChIKey ZWGXHARBQIAHQP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 307.1

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
A2B AA2BR Human Adenosine A pKi 6.43 6.43 6.43 ChEMBL
A3 AA3R Human Adenosine A pKi 5.57 5.57 5.57 ChEMBL
A1 AA1R Human Adenosine A pKi 6.38 6.38 6.38 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 5.78 5.78 5.78 ChEMBL