ropinirole
| SMILES | CCCN(CCC)CCc1cccc2c1CC(=N2)O |
| InChIKey | UHSKFQJFRQCDBE-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 260.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 7.53 | 7.53 | 7.53 | ChEMBL |
| D5 | DRD5 | Human | Dopamine | A | pKi | 4.38 | 4.38 | 4.38 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.21 | 7.73 | 8.54 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.16 | 7.58 | 8.43 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.54 | 6.54 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.86 | 5.86 | 5.86 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.42 | 5.42 | 5.42 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.73 | 5.73 | 5.73 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.12 | 6.12 | 6.12 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.92 | 5.92 | 5.92 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 4.49 | 4.49 | 4.49 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.03 | 6.1 | 6.17 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.43 | 7.43 | 7.43 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.72 | 7.72 | 7.72 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.07 | 6.07 | 6.07 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.36 | 8.36 | 8.36 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.53 | 5.53 | 5.53 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.94 | 5.94 | 5.94 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D3 | DRD3 | Rat | Dopamine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.75 | 4.8 | 4.85 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pEC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.72 | 8.03 | 8.4 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.48 | 6.87 | 8.19 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.85 | 6.85 | 6.85 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 8.29 | 8.29 | 8.29 | Drug Central |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 5.17 | 5.17 | 5.17 | ChEMBL |