CHEMBL1613157


SMILES COc1ccc(CNCCC(c2ccccc2)c2ccc3c(c2)OCO3)cc1
InChIKey MSMGILWIFGCKCS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 375.2

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-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 4.85 4.85 4.85 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.43 5.43 5.43 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 4.81 4.81 4.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 6.02 6.03 6.04 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
CB1 CNR1 Human Cannabinoid A pIC50 5.24 5.24 5.24 ChEMBL