domperidone


SMILES Clc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC1)CCCn1c(=O)[nH]c2c1cccc2
InChIKey FGXWKSZFVQUSTL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 425.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations D1 D2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Human Dopamine A pKi 7.1 7.35 7.6 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 8.5 8.5 8.5 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 7.84 7.88 7.93 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.06 7.06 7.06 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.94 6.94 6.94 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.28 6.28 6.28 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.83 6.83 6.83 ChEMBL
H1 HRH1 Human Histamine A pKi 6.81 6.81 6.81 ChEMBL
D2 DRD2 Rat Dopamine A pKi 9.24 9.26 9.28 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.99 5.99 5.99 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.78 5.78 5.78 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.16 6.16 6.16 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.12 8.26 8.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.96 7.96 7.96 ChEMBL
κ OPRK Human Opioid A pKi 5.55 5.55 5.55 ChEMBL
μ OPRM Human Opioid A pKi 5.77 5.77 5.77 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.89 8.97 9.05 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.22 5.22 5.22 PDSP Ki database
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.32 6.72 7.18 PDSP Ki database
5-HT2A 5HT2A Bovine 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 8.12 8.33 8.54 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.31 8.73 9.24 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 7.56 7.79 8.02 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 8.92 9.29 9.55 PDSP Ki database
D1 DRD1 Bovine Dopamine A pKi 5.69 5.69 5.69 PDSP Ki database
D3 DRD3 Mouse Dopamine A pKi 7.85 7.85 7.85 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.24 8.24 8.24 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.18 8.18 8.18 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
D2 DRD2 Human Dopamine A pKi 8.08 8.08 8.08 Drug Central
D3 DRD3 Human Dopamine A pKi 8.07 8.07 8.07 Drug Central
H1 HRH1 Human Histamine A pKi 8.17 8.17 8.17 Drug Central
κ OPRK Human Opioid A pKi 8.26 8.26 8.26 Drug Central
μ OPRM Human Opioid A pKi 8.24 8.24 8.24 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.15 8.15 8.15 Drug Central
D2 DRD2 Rat Dopamine A pKi 8.03 8.03 8.03 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
D2 DRD2 Human Dopamine A pKi 7.9 8.15 8.4 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 8.1 8.1 8.1 Drug Central
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pIC50 8.57 8.57 8.57 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 6.8 6.8 6.8 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.54 6.54 6.54 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.85 4.88 4.9 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.97 5.97 5.97 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.67 5.67 5.67 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.0 6.0 6.0 ChEMBL
H1 HRH1 Human Histamine A pIC50 5.87 5.87 5.87 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 7.87 8.32 8.6 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.56 5.56 5.56 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.58 5.58 5.58 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.88 5.88 5.88 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.75 7.75 7.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.43 7.43 7.43 ChEMBL
κ OPRK Human Opioid A pIC50 5.16 5.16 5.16 ChEMBL
μ OPRM Human Opioid A pIC50 5.38 5.38 5.38 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.58 8.58 8.58 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.18 8.18 8.18 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.8 4.8 4.8 ChEMBL