CHEMBL3608450


SMILES COc1cc2c3c(c1OC)-c1cc4c(cc1CC3N(C)CC2c1ccccc1)OCO4
InChIKey XYYAWEJOUNEPTR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 415.2

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
α2B ADA2B Human Adrenoceptors A pKi 5.49 5.49 5.49 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.14 6.14 6.14 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.02 7.02 7.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL