metoclopramide


SMILES CCN(CCNC(=O)c1cc(Cl)c(cc1OC)N)CC
InChIKey TTWJBBZEZQICBI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 299.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D2 D4

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
D2 DRD2 Mouse Dopamine A pKi 7.54 7.54 7.54 Guide to Pharmacology
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 6.01 6.02 6.05 ChEMBL
D2 DRD2 Bovine Dopamine A pKi 7.1 7.1 7.1 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 6.26 6.26 6.26 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.52 6.72 6.98 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.17 7.51 7.8 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.98 5.98 5.98 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.19 7.29 7.38 ChEMBL
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.05 5.05 5.05 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 5.65 5.67 5.69 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 7.19 7.19 7.19 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.8 7.8 7.8 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.21 5.41 PDSP Ki database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 5.4 5.62 6.05 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 6.2 6.25 6.3 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.63 7.36 8.38 PDSP Ki database
H1 HRH1 Rat Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
D2 DRD2 Human Dopamine A pKi 8.14 8.14 8.14 Drug Central
D3 DRD3 Human Dopamine A pKi 8.12 8.12 8.12 Drug Central
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
D2 DRD2 Mouse Dopamine A pKi 8.12 8.12 8.12 Drug Central
D2 DRD2 Bovine Dopamine A pKi 8.15 8.15 8.15 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.16 8.16 8.16 Drug Central
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pEC50 5.72 5.91 6.1 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pEC50 8.24 8.24 8.24 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 6.04 6.04 6.04 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.45 7.45 7.45 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.09 6.25 6.35 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.57 5.57 5.57 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.2 6.2 6.2 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.62 5.62 5.62 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.7 6.7 6.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.43 5.43 5.43 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.9 6.9 6.9 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 8.22 8.22 8.22 Drug Central
5-HT4 5HT4R Human 5-Hydroxytryptamine A pEC50 6.1 6.1 6.1 ChEMBL