CHEMBL1836317
| SMILES | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 |
| InChIKey | UWSBTSAJZMIHBL-HDJSIYSDSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 423.1 |
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 |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.61 | 6.61 | 6.61 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.32 | 6.32 | 6.32 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |