GR 113808
| SMILES | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C |
| InChIKey | MOZPSIXKYJUTKI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 393.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | 5-HT4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 9.29 | 9.8 | 10.3 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 8.4 | 8.55 | 8.7 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 9.82 | 9.82 | 9.82 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 8.85 | 9.66 | 10.4 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 9.96 | 9.96 | 9.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 9.68 | 9.68 | 9.68 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.6 | 4.6 | 4.6 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 6.6 | 6.6 | 6.6 | ChEMBL |