CHEMBL2368455


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Br)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey HYFDTLBXWNFVQO-KZOVSVDNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 506.0

Drug properties

Molecular type Small molecule
Endogenous/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 8.06 8.06 8.06 ChEMBL
A3 AA3R Mouse Adenosine A pKi 9.05 9.05 9.05 ChEMBL
A3 AA3R Rat Adenosine A pKi 9.12 9.12 9.12 ChEMBL
A3 AA3R Human Adenosine A pKi 9.42 9.42 9.42 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A1 AA1R Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A2A AA2AR Mouse Adenosine A pKi 5.19 5.19 5.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database