CHEMBL4541086


SMILES O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)ncnc32)[C@@H]1O
InChIKey PVJGDYDNVNCGBT-XSMNFLGNSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 379.1

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
A3 AA3R Mouse Adenosine A pKi 5.81 5.81 5.81 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.91 5.91 5.91 ChEMBL
A3 AA3R Human Adenosine A pKi 6.45 6.45 6.45 ChEMBL
A1 AA1R Human Adenosine A pKi 9.12 9.12 9.12 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.69 5.69 5.69 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database