CHEMBL4549840


SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](CO)C(C)C)NC(=O)[C@H](CC(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey HGQBSADXQRPMQI-YHGOACRTSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 16
Rotatable bonds 22
Molecular weight (Da) 1274.5

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
SST4 SSR4 Human Somatostatin A pKi 4.7 4.7 4.7 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 5.47 5.47 5.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST4 SSR4 Human Somatostatin A pIC50 4.68 4.68 4.68 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 5.28 5.28 5.28 ChEMBL