CHEMBL1774385


SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3o2)CC1
InChIKey VGOPWFPTLSPLJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 425.2

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
D3 DRD3 Human Dopamine A pKi 7.54 7.54 7.54 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.32 5.32 5.32 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.42 7.42 7.42 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.48 6.48 6.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 6.36 6.36 6.36 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.87 6.87 6.87 ChEMBL