CHEMBL442494


SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O
InChIKey GGYTXJNZMFRSLX-OKOIUDDXSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pKi 8.72 8.72 8.72 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 8.27 8.27 8.27 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.4 9.4 9.4 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.51 9.51 9.51 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pIC50 8.49 8.61 8.72 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 8.47 8.64 8.8 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 8.49 8.6 8.68 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 8.52 8.6 8.7 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 8.37 8.54 8.96 ChEMBL