CHEMBL12152


SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCNCC1COc2ccccc2O1
InChIKey HCVRCHQFYYZPHT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 386.2

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-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.37 6.37 6.37 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.59 6.59 6.59 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 6.2 6.2 6.2 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.8 6.8 6.8 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.1 9.1 9.1 ChEMBL