CHEMBL1910139


SMILES COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1
InChIKey PJPXYNKEROPCAD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 474.2

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 6.75 6.75 6.75 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.57 7.57 7.57 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.88 6.88 6.88 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.15 7.15 7.15 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.27 9.48 9.7 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.91 6.91 6.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 8.9 8.9 8.9 ChEMBL