CHEMBL1187495
SMILES | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)c2ccccc2)C1=O |
InChIKey | JDDMXKAYWDTJMD-PXJZQJOASA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 10 |
Molecular weight (Da) | 537.3 |
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 |
SST1 | SSR1 | Human | Somatostatin | A | pIC50 | 7.57 | 7.57 | 7.57 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.99 | 6.99 | 6.99 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |