CHEMBL604591


SMILES CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2c1ncn2[C@@H]1C[C@H](n2cc(CO)cn2)[C@@H](O)[C@H]1O
InChIKey NCSZDLWKVPXZCB-AWAHEQQVSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 552.3

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 8.27 8.27 8.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.1 6.1 6.1 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.28 8.28 8.28 ChEMBL
A1 AA1R Human Adenosine A pEC50 5.39 5.39 5.39 ChEMBL