CGP 71683A
| SMILES | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 |
| InChIKey | UULIGRNKXHCLQN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 475.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 8.96 | 8.96 | 8.96 | PDSP Ki database |
| Y1 | NPY1R | Rat | Neuropeptide Y | A | pKi | 8.89 | 8.89 | 8.89 | PDSP Ki database |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
| MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 5.08 | 5.08 | 5.08 | ChEMBL |
| Y2 | NPY2R | Human | Neuropeptide Y | A | pIC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
| Y4 | NPY4R | Human | Neuropeptide Y | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 8.54 | 8.63 | 8.89 | ChEMBL |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pIC50 | 8.85 | 8.85 | 8.85 | ChEMBL |