terguride
| SMILES | CCN(C(=O)N[C@@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)c[nH]3)CC |
| InChIKey | JOAHPSVPXZTVEP-YXJHDRRASA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 340.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | 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 | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.38 | 7.74 | 8.1 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.94 | 9.28 | 9.8 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.09 | 8.18 | 8.28 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.41 | 8.43 | 8.45 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 7.63 | 7.63 | 7.63 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.46 | 8.46 | 8.46 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 9.53 | 9.53 | 9.53 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 9.35 | 9.35 | 9.35 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.18 | 6.18 | 6.18 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.32 | 8.32 | 8.32 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.32 | 7.32 | 7.32 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 6.47 | 6.47 | 6.47 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.12 | 9.12 | 9.12 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.79 | 7.79 | 7.79 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Rat | Dopamine | A | pIC50 | 7.16 | 7.16 | 7.16 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
| D1 | DRD1 | Rat | Dopamine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.6 | 7.6 | 7.6 | ChEMBL |