CHEMBL523797


SMILES O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc21
InChIKey JDKVLAUQQJFNTK-JHOKLZQASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 405.1

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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.39 5.39 5.39 ChEMBL
A3 AA3R Human Adenosine A pKi 8.97 8.97 8.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.34 5.35 5.35 ChEMBL
A1 AA1R Human Adenosine A pKi 5.51 5.61 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database