methiothepin
| SMILES | CSc1ccc2c(c1)C(Cc1c(S2)cccc1)N1CCN(CC1)C |
| InChIKey | RLJFTICUTYVZDG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 356.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.95 | 8.1 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.8 | 8.5 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.75 | 8.2 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.85 | 7.0 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.95 | 9.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.7 | 8.9 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.8 | 9.4 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.9 | 9.4 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 8.45 | 9.4 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 9.0 | 9.2 | 9.4 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 8.12 | 9.0 | ChEMBL |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.84 | 9.26 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.39 | 9.0 | 9.52 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 7.98 | 8.66 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.47 | 8.42 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| US28 | US28 | strain AD169 | Unclassified | A | pEC50 | 6.45 | 6.46 | 6.46 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pEC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.68 | 8.6 | 9.52 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.9 | 8.03 | 8.62 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 9.42 | 9.42 | 9.42 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.15 | 7.54 | 7.92 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.25 | 7.25 | 7.25 | ChEMBL |