CHEMBL44246
| SMILES | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |
| InChIKey | KUWBXRGRMQZCSS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 473.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/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 | 8.34 | 8.34 | 8.34 | ChEMBL |
| PrRP | PRLHR | Human | Prolactin-releasing peptide | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y1 | NPY1R | Guinea pig | Neuropeptide Y | A | pKi | 8.31 | 8.31 | 8.31 | PDSP Ki database |
| Y1 | NPY1R | Rat | Neuropeptide Y | A | pKi | 8.49 | 8.49 | 8.49 | PDSP Ki database |
| Y2 | NPY2R | Chicken | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y2 | NPY2R | Guinea pig | Neuropeptide Y | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 8.01 | 8.01 | 8.01 | PDSP Ki database |
| Y1 | Q9GK75 | Rhesus macaque | Neuropeptide Y | A | pKi | 8.16 | 8.16 | 8.16 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 4.1 | 4.1 | 4.1 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 7.77 | 8.0 | 8.23 | ChEMBL |