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
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 9.07 9.09 9.12 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.93 9.0 9.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.58 8.58 8.58 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.58 5.58 5.58 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 10.0 10.31 11.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 9.7 9.7 9.7 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.82 8.03 8.24 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 7.24 7.24 7.24 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.51 5.51 5.51 PDSP Ki database
D2 A0A287B0Q7 Pig Dopamine A pKi 9.85 10.18 10.4 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 10.52 10.52 10.52 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 10.52 10.61 10.7 PDSP Ki database
D2 DRD2 Dog Dopamine A pKi 10.22 10.22 10.22 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.55 5.55 5.55 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.53 6.53 6.53 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 PDSP Ki database
5-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.81 5.81 5.81 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.34 7.34 7.34 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.09 7.09 7.09 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.25 7.25 7.25 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.32 6.32 6.32 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rat Adrenoceptors A pIC50 6.27 6.27 6.27 ChEMBL
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