CHEMBL4544583


SMILES CCc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
InChIKey WEMWEQGYQWENGE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 438.2

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 6.48 6.48 6.48 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.74 7.74 7.74 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.85 9.85 9.85 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.23 7.23 7.23 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pIC50 7.72 7.72 7.72 ChEMBL
D3 DRD3 Human Dopamine A pEC50 8.33 8.33 8.33 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 6.83 6.83 6.83 ChEMBL