CHEMBL227212
SMILES | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)Cc2ccccc2)C1=O |
InChIKey | FGKNVWQWKFERAE-DGPALRBDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 11 |
Molecular weight (Da) | 551.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST1 | SSR1 | Human | Somatostatin | A | pIC50 | 6.63 | 6.63 | 6.63 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 8.48 | 8.48 | 8.48 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |