CHEMBL1223229
SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C/C=C\C[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O |
InChIKey | PFQRIFACFSEBLD-IJROBSLXSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 13 |
Rotatable bonds | 17 |
Molecular weight (Da) | 1030.5 |
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 |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 8.02 | 8.02 | 8.02 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.78 | 7.78 | 7.78 | ChEMBL |