CHEMBL4097131
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)C(CC1CCCCC1)NC(=O)C(CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC1CCCCC1)C(N)=O)[C@@H](C)O |
| InChIKey | WRGBEYNJXNFSHM-UYRCSWMVSA-N |
Chemical properties
| Hydrogen bond acceptors | 20 |
| Hydrogen bond donors | 26 |
| Rotatable bonds | 53 |
| Molecular weight (Da) | 1727.0 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Y2 | NPY2R | Human | Neuropeptide Y | A | pIC50 | 8.13 | 8.13 | 8.13 | ChEMBL |
| Y2 | NPY2R | Human | Neuropeptide Y | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |