CHEMBL440618


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](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1
InChIKey ZHTQHERQPPHQPE-UJGSWJOCSA-N

Chemical properties

Hydrogen bond acceptors 21
Hydrogen bond donors 18
Rotatable bonds 21
Molecular weight (Da) 1680.6

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
SST1 SSR1 Human Somatostatin A pIC50 8.17 8.17 8.17 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 6.36 6.36 6.36 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 6.27 6.27 6.27 ChEMBL