Somatostatin-14
SMILES | C[C@@H](C(=O)NCC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC(=O)N)CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54)CCCCN)C(C)O)CC6=CC=CC=C6)C(C)O)CO)C(=O)O)N |
InChIKey | NHXLMOGPVYXJNR-UYURUMNQSA-N |
Chemical properties
Hydrogen bond acceptors | 23 |
Hydrogen bond donors | 22 |
Rotatable bonds | 26 |
Molecular weight (Da) | 1636.7 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 8.65 | 9.19 | 10.0 | PDSP Ki database |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 8.89 | 10.0 | 10.52 | PDSP Ki database |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 8.68 | 9.4 | 10.0 | PDSP Ki database |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.39 | 8.91 | 9.7 | PDSP Ki database |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.63 | 9.37 | 9.92 | PDSP Ki database |
SST5 | SSR5 | Rat | Somatostatin | A | pKi | 8.3 | 8.65 | 9.07 | PDSP Ki database |
SST3 | SSR3 | Mouse | Somatostatin | A | pKi | 9.11 | 9.79 | 10.15 | PDSP Ki database |
SST4 | SSR4 | Mouse | Somatostatin | A | pKi | 8.92 | 8.92 | 8.92 | PDSP Ki database |
SST2 | SSR2 | Mouse | Somatostatin | A | pKi | 8.84 | 9.54 | 10.1 | PDSP Ki database |
SST4 | SSR4 | Rat | Somatostatin | A | pKi | 8.18 | 8.73 | 9.07 | PDSP Ki database |
SST2 | SSR2 | Rat | Somatostatin | A | pKi | 8.19 | 9.47 | 10.39 | PDSP Ki database |
SST3 | SSR3 | Rat | Somatostatin | A | pKi | 8.42 | 9.36 | 10.15 | PDSP Ki database |
SST1 | SSR1 | Rat | Somatostatin | A | pKi | 8.35 | 9.35 | 10.0 | PDSP Ki database |
SST1 | SSR1 | Human | Somatostatin | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
SST2 | SSR2 | Human | Somatostatin | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
SST3 | SSR3 | Human | Somatostatin | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
SST4 | SSR4 | Human | Somatostatin | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
SST5 | SSR5 | Human | Somatostatin | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Rat | Opioid | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
SST5 | SSR5 | Rat | Somatostatin | A | pIC50 | 8.04 | 8.04 | 8.04 | Drug Central |
μ | OPRM | Rat | Opioid | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
SST3 | SSR3 | Mouse | Somatostatin | A | pIC50 | 8.0 | 8.0 | 8.0 | Drug Central |
SST2 | SSR2 | Mouse | Somatostatin | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |