BIIE0246
| SMILES | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 |
| InChIKey | RSJAXPUYVJKAAA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 895.4 |
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 |
| Y2 | Q9ERC0 | Rat | Neuropeptide Y | A | pKi | 8.05 | 8.12 | 8.19 | PDSP Ki database |
| Y5 | NPY5R | Rat | Neuropeptide Y | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| Y2 | NPY2R | Chicken | Neuropeptide Y | A | pKi | 6.2 | 6.2 | 6.2 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |