CHEMBL554976
SMILES | CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](c3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H]([C@H](C)O)NC2=O)cc1 |
InChIKey | OZVDGORYRFEUOV-ZZTSOFTRSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 14 |
Rotatable bonds | 19 |
Molecular weight (Da) | 1262.5 |
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 |
SST2 | SSR2 | Human | Somatostatin | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
SST3 | SSR3 | Human | Somatostatin | A | pIC50 | 6.63 | 6.63 | 6.63 | ChEMBL |