CHEMBL408471
SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O |
InChIKey | CAVUPJAIIXVCRJ-HXWGMKPQSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 11 |
Rotatable bonds | 15 |
Molecular weight (Da) | 1101.5 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 7.81 | 7.81 | 7.81 | ChEMBL |