CHEMBL4580044
| SMILES | COc1ccc(CN2CCC(CCC(=O)c3cc(Cl)c(N)cc3OC)CC2)cc1O |
| InChIKey | YWZXQPUTUAXEKS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 432.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.84 | 7.84 | 7.84 | ChEMBL |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 8.85 | 8.85 | 8.85 | ChEMBL |