CHEMBL5191989


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCC[C@H]4Oc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey QHCCYMQVQIXGMM-SLHDEKGNSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 502.2

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
A1 AA1R Human Adenosine A pKd 6.71 6.71 6.71 ChEMBL
A1 AA1R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A1 AA1R Rat Adenosine A pKd 7.26 7.26 7.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.08 7.08 7.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 7.99 7.99 7.99 ChEMBL
A2A AA2AR Human Adenosine A pEC50 4.86 4.86 4.86 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.1 5.1 5.1 ChEMBL
A3 AA3R Human Adenosine A pEC50 6.92 6.92 6.92 ChEMBL