CHEMBL2112660


SMILES CN1CCN(c2cccc3ccc(OCC(=O)N4CCN(c5ccccc5C#N)CC4)cc23)CC1
InChIKey NBZSOFCUUKJUJF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 469.2

Drug properties

Molecular type Small molecule
Endogenous/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 9.42 9.42 9.42 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.29 9.29 9.29 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.91 7.91 7.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pEC50 7.55 7.55 7.55 ChEMBL