CHEMBL408471
| SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O |
| InChIKey | CAVUPJAIIXVCRJ-HXWGMKPQSA-N |
Chemical properties
| Hydrogen bond acceptors | 12 |
| Hydrogen bond donors | 11 |
| Rotatable bonds | 15 |
| Molecular weight (Da) | 1101.5 |
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 |
| SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 7.81 | 7.81 | 7.81 | ChEMBL |