CHEMBL4060403


SMILES O=Cc1cnn2ccc(NC(=O)CCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIKey PMBZPLQKUNCRDH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 459.1

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 7.52 7.52 7.52 ChEMBL
D1 DRD1 Human Dopamine A pKi 6.68 6.68 6.68 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.77 8.77 8.77 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 ChEMBL
D2 DRD2 Human Dopamine A pKi 9.39 9.46 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pEC50 7.43 7.43 7.43 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.89 7.89 7.89 ChEMBL