ML 10375
| SMILES | COc1cc(N)c(cc1C(=O)OCCN1CC(C)CC(C1)C)Cl |
| InChIKey | BUEFUOFMOXJXAR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 340.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 8.8 | 9.4 | 10.0 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pKi | 8.63 | 9.11 | 9.59 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 7.89 | 7.92 | 7.96 | ChEMBL |