rauwolscine
| SMILES | COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1 |
| InChIKey | BLGXFZZNTVWLAY-DIRVCLHFSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 354.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.2 | 6.3 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.55 | 7.7 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.46 | 6.75 | 7.05 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.87 | 8.26 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.11 | 7.55 | 7.89 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.21 | 7.28 | 7.82 | ChEMBL |
| 5-HT2B | A0A4W2G092 | Hybrid cattle | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.89 | 5.89 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.68 | 7.88 | 8.08 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.33 | 6.44 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.43 | 7.43 | 7.43 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.13 | 7.38 | 7.63 | PDSP Ki database |
| 5-HT1D | 5HT1D | Dog | 5-Hydroxytryptamine | A | pKi | 8.29 | 8.29 | 8.29 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.7 | 6.33 | 7.05 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.11 | 7.28 | 7.45 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.27 | 6.27 | 6.27 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.56 | 6.56 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.41 | 8.41 | 8.41 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.72 | 8.72 | 8.72 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.41 | 5.41 | 5.41 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.6 | 7.0 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| MT1 | MTR1A | Human | Melatonin | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| MT2 | MTR1B | Human | Melatonin | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 6.41 | 6.41 | 6.41 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.45 | 6.47 | 6.49 | PDSP Ki database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKd | 7.08 | 7.08 | 7.08 | ChEMBL |
| 5-HT1D | A0A4W2F4L6 | Hybrid cattle | 5-Hydroxytryptamine | A | pKi | 7.11 | 7.33 | 7.54 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pEC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 7.31 | 7.31 | 7.31 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.71 | 6.71 | 6.71 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.75 | 8.75 | 8.75 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
| MT1 | MTR1A | Human | Melatonin | A | pEC50 | 6.59 | 6.59 | 6.59 | ChEMBL |
| MT2 | MTR1B | Human | Melatonin | A | pEC50 | 6.95 | 6.95 | 6.95 | ChEMBL |
| 5-HT1D | 5HT1D | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 7.31 | 7.31 | 7.31 | ChEMBL |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pEC50 | 6.62 | 6.62 | 6.62 | ChEMBL |