CHEMBL4462329


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)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O
InChIKey ROVULHSXPAAGRB-IXKZDAGASA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1072.5

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
SST4 SSR4 Human Somatostatin A pKi 5.14 5.14 5.14 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST4 SSR4 Human Somatostatin A pIC50 5.13 5.13 5.13 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 4.8 4.8 4.8 ChEMBL