CHEMBL4557933
SMILES | NCCCCO[C@@H]1[C@@H](NC(=O)Cc2c[nH]c3ccccc23)COC(=O)c2c(O)cccc2CCCOC[C@@H](OCc2ccccc2)[C@H]1O |
InChIKey | ASFVRFFSISMECP-IVXDXFGKSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 659.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |