CHEMBL446077
| SMILES | CNCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccc(Cl)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O |
| InChIKey | QIRVFTJJSHEARZ-BPBSOZPZSA-N |
Chemical properties
| Hydrogen bond acceptors | None |
| Hydrogen bond donors | None |
| Rotatable bonds | None |
| Molecular weight (Da) |
Drug properties
| Molecular type | Protein |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST5 | SSR5 | Human | Somatostatin | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 6.15 | 6.15 | 6.15 | ChEMBL |
| SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 7.21 | 7.21 | 7.21 | ChEMBL |