L-817,818
| SMILES | CC(COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC3=CC=CC=C32)C4=CC5=CC=CC=C5C=C4)N |
| InChIKey | NFVRGDRCCNEGBS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 536.3 |
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 |
| SST1 | SSR1 | Human | Somatostatin | A | pKi | 8.48 | 8.48 | 8.48 | PDSP Ki database |
| SST2 | SSR2 | Human | Somatostatin | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
| SST3 | SSR3 | Human | Somatostatin | A | pKi | 7.19 | 7.19 | 7.19 | PDSP Ki database |
| SST4 | SSR4 | Human | Somatostatin | A | pKi | 7.09 | 7.09 | 7.09 | PDSP Ki database |
| SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.89 | 9.23 | 9.4 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |