tegaserod
| SMILES | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N |
| InChIKey | IKBKZGMPCYNSLU-RGVLZGJSSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 301.2 |
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-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 8.0 | 8.4 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.38 | 5.38 | 5.38 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 7.51 | 8.22 | 8.4 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.25 | 6.25 | 6.25 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.81 | 7.81 | 7.81 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCR6 | CCR6 | Human | Chemokine | A | pIC50 | 4.63 | 4.63 | 4.63 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 7.8 | 8.54 | 9.0 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 7.9 | 8.1 | 8.2 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pEC50 | 8.1 | 8.1 | 8.1 | Drug Central |