CHEMBL5633551


SMILES O[C@H]1[C@H](n2cnc3c(NC(C4CCCC4)C4CCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
InChIKey ZHSULWJCWFHCBW-BHLMYSNQSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 463.2

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
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.35 6.35 6.35 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.09 6.17 6.24 ChEMBL
A3 AA3R Human Adenosine A pKi 5.14 5.14 5.14 ChEMBL
A1 AA1R Human Adenosine A pKi 5.79 5.79 5.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database