CHEMBL444590


SMILES COc1cccc2c1CCCC2CCCN1CCN(c2ccccn2)CC1
InChIKey KKPMYWNQZNRGIK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 365.2

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
α1B ADA1B Human Adrenoceptors A pKi 8.1 8.1 8.1 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.93 6.93 6.93 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.48 9.48 9.48 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 9.32 9.32 9.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.32 9.71 10.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 6.75 6.82 6.85 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 9.24 9.26 9.27 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 9.11 9.11 9.11 ChEMBL