BIBO3304
| SMILES | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)CNC(=O)N |
| InChIKey | TVMJSGGZULFVCZ-XMMPIXPASA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 6 |
| Rotatable bonds | 13 |
| 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 | 9.6 | 9.6 | 9.6 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| Y1 | NPY1R | Rat | Neuropeptide Y | A | pIC50 | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| Y1 | NPY1R | Rat | Neuropeptide Y | A | pIC50 | 9.14 | 9.14 | 9.14 | ChEMBL |
| Y4 | NPY4R | Human | Neuropeptide Y | A | pIC50 | 4.62 | 4.77 | 4.91 | ChEMBL |
| Y1 | NPY1R | Human | Neuropeptide Y | A | pIC50 | 5.89 | 8.16 | 9.42 | ChEMBL |
| Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 4.55 | 4.55 | 4.55 | ChEMBL |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pIC50 | 4.64 | 4.66 | 4.68 | ChEMBL |