BIBP3226
| SMILES | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O |
| InChIKey | KUWBXRGRMQZCSS-HSZRJFAPSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 5 |
| 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 |
| NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 7.0 | 7.4 | 7.8 | Guide to Pharmacology |
| NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 5.9 | 6.5 | 7.1 | Guide to Pharmacology |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 8.12 | 8.72 | 9.33 | Guide to Pharmacology |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKd | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| Y1 | NPY1R | Rat | Neuropeptide Y | A | pKi | 7.9 | 8.2 | 8.5 | Guide to Pharmacology |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKi | 5.63 | 8.46 | 9.0 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pKd | 8.68 | 8.68 | 8.68 | ChEMBL |
| NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 7.75 | 7.83 | 7.92 | ChEMBL |
| NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKd | 7.68 | 7.68 | 7.68 | ChEMBL |
| NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 6.6 | 6.84 | 7.08 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 7.79 | 8.1 | 8.44 | ChEMBL |
| NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pEC50 | 6.63 | 6.79 | 6.95 | ChEMBL |