CHEMBL9746


SMILES Cc1ccccc1N1CCNCC1
InChIKey WICKLEOONJPMEQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 176.1

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 Rat 5-Hydroxytryptamine A pKi 7.35 7.35 7.35 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.56 7.56 7.56 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.69 6.69 6.69 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Dog Adrenoceptors A pIC50 4.54 4.54 4.54 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 4.85 4.85 4.85 ChEMBL