CHEMBL470495
| SMILES | CCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |
| InChIKey | DTIOXMCBTYZRGU-RUZDIDTESA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 529.3 |
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 |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 8.92 | 8.96 | 9.0 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKd | 8.54 | 8.86 | 8.96 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 8.65 | 8.65 | 8.65 | ChEMBL |