CHEMBL3746512


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccccc4)nc(I)nc31)[C@H](O)[C@@H]2O
InChIKey DILMSJYJOSOLCR-DYRGRVSNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 534.1

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 Mouse Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.77 8.77 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.24 6.24 6.24 ChEMBL
A3 AA3R Human Adenosine A pKi 8.35 8.35 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database