CHEMBL1774534


SMILES COc1ccccc1N1CCN(CC(F)CCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIKey JLMZACVBNICYMZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 424.2

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
D4 DRD4 Human Dopamine A pKi 5.83 5.83 5.83 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.02 8.02 8.02 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.49 5.49 5.49 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.38 6.38 6.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 6.09 6.09 6.09 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 5.84 5.84 5.84 ChEMBL