CHEMBL4300399


SMILES COc1ccccc1N1CCN(CCOCCOc2cc(C)cc(C)c2C)CC1
InChIKey JJACJGJMQKKPIZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 398.3

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
α1A ADA1A Human Adrenoceptors A pKi 7.85 7.85 7.85 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.05 7.05 7.05 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.8 6.8 6.8 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 5.63 5.63 5.63 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.42 6.42 6.42 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.4 5.4 5.4 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.11 7.11 7.11 ChEMBL