CHEMBL3218124
| SMILES | COC(=O)CCN(Cc1ccccc1)C(=O)CCN(C[C@@H](C)O)C(=O)CCN(CCCCN)C(=O)CCN(CCc1c[nH]c2ccccc12)C(=O)CCN(Cc1ccccc1)C(C)=O |
| InChIKey | KXNLUXKSHXOTOL-KXQOOQHDSA-N |
Chemical properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 28 |
| Molecular weight (Da) | 881.5 |
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 |
| SST1 | SSR1 | Human | Somatostatin | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| SST4 | SSR4 | Human | Somatostatin | A | pKi | 4.92 | 4.92 | 4.92 | ChEMBL |
| SST5 | SSR5 | Human | Somatostatin | A | pKi | 4.96 | 4.96 | 4.96 | ChEMBL |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 4.26 | 4.26 | 4.26 | ChEMBL |
| SST3 | SSR3 | Human | Somatostatin | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |