CHEMBL3361432
| SMILES | COC(=O)c1ccc(CN2CCC(CNC(=O)CNC(=N)N)(Nc3ccccc3)CC2)cc1 |
| InChIKey | VBJVJMPJFWOQSS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 452.3 |
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 |
| NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
| NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |