tropisetron
| SMILES | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)c1c[nH]c2c1cccc2 |
| InChIKey | ZNRGQMMCGHDTEI-ITGUQSILSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 284.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKd | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.9 | 7.08 | 7.27 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.7 | 7.1 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 5.5 | 6.0 | 6.49 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.1 | 5.22 | 5.35 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |