CHEMBL3597636


SMILES O=C(NCCC(O)CN1CCN(c2cccc3ccccc23)CC1)c1cnc2ccccc2c1
InChIKey KRUWNGHFXJBYSG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 454.2

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 7.36 7.36 7.36 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.44 8.44 8.44 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.62 8.62 8.62 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.05 8.05 8.05 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.59 6.59 6.59 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.14 7.14 7.14 ChEMBL
D3 DRD3 Human Dopamine A pEC50 7.89 7.89 7.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.77 7.77 7.77 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.14 6.14 6.14 ChEMBL
D2 DRD2 Human Dopamine A pEC50 6.7 6.7 6.7 ChEMBL