CHEMBL5088750


SMILES COC(=O)/C=C/c1cc(C)cc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccncc2)c1
InChIKey OCCHSWRJEGGMLV-AATRIKPKSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 456.1

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 Mouse Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A3 AA3R Human Adenosine A pKi 7.72 7.72 7.72 ChEMBL
A1 AA1R Human Adenosine A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database