CHEMBL2021559
SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 |
InChIKey | OUJGVKJPCLCCKD-SHJPJZKHSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 9 |
Rotatable bonds | 16 |
Molecular weight (Da) | 1170.5 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 8.92 | 8.92 | 8.92 | ChEMBL |
SST4 | SSR4 | Human | Somatostatin | A | pIC50 | 7.2 | 7.2 | 7.2 | ChEMBL |
SST5 | SSR5 | Human | Somatostatin | A | pIC50 | 6.74 | 6.74 | 6.74 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.95 | 6.95 | 6.95 | ChEMBL |