sumatriptan
| SMILES | CNS(=O)(=O)Cc1ccc2c(c1)c(CCN(C)C)c[nH]2 |
| InChIKey | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 295.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Sankey plot
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Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 7.3 | 8.1 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.35 | 8.7 | Guide to Pharmacology |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.7 | 5.8 | Guide to Pharmacology |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.55 | 7.9 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.2 | 5.2 | 5.2 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.4 | 6.6 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Western lowland gorilla | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.21 | 8.04 | 8.92 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.49 | 8.92 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.64 | 7.87 | 8.09 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 7.32 | 7.81 | 8.26 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.52 | 8.2 | 8.92 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.36 | 6.45 | 6.64 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 6.4 | 6.4 | 6.4 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.56 | 7.0 | PDSP Ki database |
| 5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.33 | 6.78 | 7.4 | PDSP Ki database |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 6.9 | 7.44 | 7.77 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2A | 5HT2A | Pig | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.6 | 7.6 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.39 | 5.59 | PDSP Ki database |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2B | 5HT2B | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.11 | 6.3 | PDSP Ki database |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.8 | 7.0 | PDSP Ki database |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 5.25 | 5.47 | 5.7 | PDSP Ki database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 7.64 | 7.64 | 7.64 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.99 | 6.39 | 6.59 | PDSP Ki database |
| 5-HT1D | 5HT1D | Dog | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.45 | 8.79 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.6 | 5.63 | 5.68 | PDSP Ki database |
| 5-HT1F | 5HT1F | Mouse | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
| 5-HT1F | 5HT1F | Rat | 5-Hydroxytryptamine | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.76 | 6.76 | 6.76 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 8.32 | 8.32 | 8.32 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.7 | 5.85 | 6.0 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Western lowland gorilla | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pIC50 | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pEC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
| 5-HT1F | 5HT1F | Human | 5-Hydroxytryptamine | A | pEC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.96 | 7.36 | 7.75 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.57 | 8.06 | 9.3 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pEC50 | 7.11 | 7.27 | 7.42 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pIC50 | 5.62 | 7.74 | 8.53 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pEC50 | 6.66 | 7.78 | 8.37 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pEC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.09 | 6.14 | 6.19 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.1 | 6.62 | 8.14 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.3 | 6.37 | 6.4 | ChEMBL |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |