CHEMBL4856311
| SMILES | CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |
| InChIKey | YXWAKKCWEACOQW-SKGSPYGFSA-N |
Chemical properties
| Hydrogen bond acceptors | 13 |
| Hydrogen bond donors | 20 |
| Rotatable bonds | 21 |
| Molecular weight (Da) | 1143.6 |
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 |
| Y4 | NPY4R | Human | Neuropeptide Y | A | pKi | 10.48 | 10.48 | 10.48 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y4 | NPY4R | Human | Neuropeptide Y | A | pEC50 | 8.78 | 8.93 | 9.0 | ChEMBL |