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 |
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 |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
| 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 |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.89 | 8.97 | 9.05 | ChEMBL |
| 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 |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.31 | 8.73 | 9.24 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.12 | 8.33 | 8.54 | 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 |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| μ | OPRM | Human | Opioid | A | pKi | 8.24 | 8.24 | 8.24 | 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 |
| α2B | ADA2B | 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 |
| 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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | 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 |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.9 | 8.15 | 8.4 | Guide to Pharmacology |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 5.22 | 5.22 | 5.22 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 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 |