nemonapride


SMILES COc1cc(NC)c(cc1C(=O)NC1CCN(C1C)Cc1ccccc1)Cl
InChIKey KRVOJOCLBAAKSJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 387.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D2 D3

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pKi 9.2 9.25 9.3 Guide to Pharmacology
D4 DRD4 Human Dopamine A pKd 10.0 10.0 10.0 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 9.8 9.8 9.8 ChEMBL
D3 DRD3 Rat Dopamine A pKd 10.19 10.21 10.22 ChEMBL
D2 DRD2 Rat Dopamine A pKi 9.8 9.8 9.8 ChEMBL
D2 DRD2 Rat Dopamine A pKd 10.8 10.82 10.85 ChEMBL
D4 DRD4 Human Dopamine A pKd 9.68 9.68 9.68 ChEMBL
D4 DRD4 Human Dopamine A pKi 8.98 9.04 9.12 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.74 8.91 9.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.58 8.72 8.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D2 DRD2 Rat Dopamine A pIC50 9.32 9.32 9.32 ChEMBL
D4 DRD4 Human Dopamine A pIC50 7.01 7.01 7.01 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.27 6.27 6.27 ChEMBL