CHEMBL3613875


SMILES O=Cc1cnn2ccc(-n3cc(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)nn3)cc12
InChIKey YMUDLHBKUTXRGL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 497.2

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 5.85 5.85 5.85 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.36 8.36 8.36 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.82 7.82 7.82 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.96 7.12 7.29 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.82 5.82 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Human Dopamine A pEC50 5.73 5.95 6.16 ChEMBL