CHEMBL5633642


SMILES O[C@H]1[C@H](n2cnc3c(NC(C4CCCCC4)C4CCCCC4)nc(Cl)nc32)[C@H]2C[C@@]2(CF)[C@H]1O
InChIKey ZXSCKGUKWIMOSM-YZSDQEEOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 491.2

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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.26 5.26 5.26 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.44 5.44 5.44 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.36 6.36 6.36 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.79 6.79 6.79 ChEMBL
A3 AA3R Human Adenosine A pKi 5.3 5.3 5.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database