CHEMBL4874445
| SMILES | N=C(N)NCCC[C@@H]1NC(=O)CCC(=O)NCCCNC(=O)NC(=N)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |
| InChIKey | GAVPOEVMKIHXBX-KHVQSSSXSA-N |
Chemical properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 21 |
| Rotatable bonds | 21 |
| Molecular weight (Da) | 1179.6 |
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 | 7.54 | 7.54 | 7.55 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y4 | NPY4R | Human | Neuropeptide Y | A | pEC50 | 6.28 | 6.36 | 6.45 | ChEMBL |