CHEMBL396024


SMILES O=C(NCCC(O)CN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2
InChIKey RJAHNHBPWHWZAB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 509.2

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
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.55 5.55 5.55 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.74 8.74 8.74 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.26 6.26 6.26 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.74 5.74 5.74 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.38 7.38 7.38 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.38 7.38 7.38 ChEMBL