CHEMBL4292326


SMILES O=C(NCCc1c[nH]c2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIKey UREVHUMURSAMHB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 451.2

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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.47 5.47 5.47 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.35 8.35 8.35 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.33 6.33 6.33 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.61 5.61 5.61 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.22 6.22 6.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.73 7.79 7.85 ChEMBL