CHEMBL4302655


SMILES COc1ccccc1N1CCN(CCOCCOc2c(C)cc(C)cc2C)CC1
InChIKey SODIABUAKYTHPQ-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
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.16 7.16 7.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.61 6.61 6.61 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pIC50 5.74 5.74 5.74 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 4.74 4.74 4.74 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 7.25 7.25 7.25 ChEMBL
D2 DRD2 Human Dopamine A pIC50 7.09 7.09 7.09 ChEMBL