CHEMBL124015
| SMILES | CN1c2ccc(Cl)cc2C(c2ccccc2)=NCC1CCNC(=O)c1cccs1 |
| InChIKey | JEZGMXQLYTYHBX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| 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 |
| CCK2 | GASR | Human | Cholecystokinin | A | pKi | 4.77 | 4.77 | 4.77 | ChEMBL |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 8.05 | 8.05 | 8.05 | ChEMBL |
| δ | OPRD | Human | Opioid | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 9.15 | 9.15 | 9.15 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 7.58 | 7.58 | 7.58 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |