CHEMBL319118


SMILES COc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIKey ZIWFCOIGUNPHPM-HKUYNNGSSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 380.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 6.68 6.68 6.68 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.6 6.6 6.6 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.93 5.93 5.93 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.12 5.12 5.12 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.64 5.64 5.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.4 9.95 10.92 ChEMBL