CHEMBL4460742
| SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| InChIKey | QMWZUHUCXHAVHQ-XPKSBRBGSA-N |
Chemical properties
| Hydrogen bond acceptors | 16 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 39 |
| Molecular weight (Da) | 1376.7 |
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 |
| NPFF1 | NPFF1 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 8.54 | 8.54 | 8.54 | ChEMBL |
| NPFF2 | NPFF2 | Human | Neuropeptide FF/neuropeptide AF | A | pKi | 10.57 | 10.57 | 10.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |