CHEMBL1223227
SMILES | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1C/C=C/C[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)N1 |
InChIKey | ZDYMYZXEVMIEDE-AKXWXSMUSA-N |
Chemical properties
Hydrogen bond acceptors | 13 |
Hydrogen bond donors | 12 |
Rotatable bonds | 20 |
Molecular weight (Da) | 1146.6 |
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 |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.05 | 6.05 | 6.05 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |