pergolide
| SMILES | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 |
| InChIKey | YEHCICAEULNIGD-MZMPZRCHSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 314.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | D2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.9 | 6.2 | 6.5 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.5 | 7.55 | 7.6 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.0 | 6.75 | 7.5 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.65 | 9.0 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.11 | 6.11 | 6.11 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.13 | 6.13 | 6.13 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.54 | 7.54 | 7.54 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.7 | 6.08 | 6.47 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 7.35 | 7.67 | 8.4 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.31 | 7.31 | 7.31 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.4 | 8.74 | 9.07 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.57 | 8.74 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.3 | 7.66 | 8.4 | ChEMBL |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.52 | 7.52 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.32 | 8.66 | 9.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.75 | 8.14 | 8.53 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.5 | 7.6 | 7.72 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.26 | 8.45 | 8.64 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.04 | 6.76 | 7.48 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.68 | 7.89 | 8.11 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.76 | 8.15 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.16 | 6.16 | 6.16 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.98 | 6.26 | 6.53 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.87 | 6.17 | 6.47 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.23 | 7.23 | 7.23 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.49 | 7.49 | 7.49 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | 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 |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.55 | 6.55 | 6.55 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.53 | 6.53 | 6.53 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.77 | 5.77 | 5.77 | PDSP Ki database |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | PDSP Ki database |
| D1 | DRD1 | Mouse | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.72 | 8.72 | 8.72 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.88 | 7.88 | 7.88 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.19 | 7.19 | 7.19 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.85 | 5.85 | 5.85 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 7.5 | 7.95 | 8.8 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pEC50 | 8.11 | 8.11 | 8.11 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.41 | 7.41 | 7.41 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.27 | 8.27 | 8.27 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 9.45 | 9.45 | 9.45 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pEC50 | 8.05 | 8.05 | 8.05 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.11 | 8.11 | 8.11 | Drug Central |
| D2 | DRD2 | Bovine | Dopamine | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |