CHEMBL1161332
SMILES | C[C@@H]1NC(=O)N(C)[C@H](O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O |
InChIKey | SEKPCRFTCJTKMS-CZNROWNISA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 11 |
Rotatable bonds | 9 |
Molecular weight (Da) | 1022.4 |
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 | 6.07 | 6.71 | 7.35 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 7.42 | 7.8 | 8.19 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 6.41 | 6.54 | 6.68 | ChEMBL |