CHEMBL374833
| SMILES | NCCCC[C@@H](C(=O)NCc1ccccc1)N1Cc2[nH]c3ccccc3c2C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)C1=O |
| InChIKey | HBLIGSJPLIFUFI-BZFILIQBSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 641.3 |
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 | 7.05 | 7.05 | 7.05 | ChEMBL |
| SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 7.14 | 7.14 | 7.14 | ChEMBL |
| SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.99 | 6.99 | 6.99 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.16 | 6.16 | 6.16 | ChEMBL |