CHEMBL3350903
SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |
InChIKey | AIPNJSQOAXBDQI-CCSMFSCPSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 15 |
Rotatable bonds | 15 |
Molecular weight (Da) | 1152.5 |
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 |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 8.37 | 8.37 | 8.37 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |