CHEMBL558161


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](NC(=O)[C@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1
InChIKey ZFWXTIRTVJJPDT-QOCTXULSSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 12
Rotatable bonds 19
Molecular weight (Da) 1237.5

Drug properties

Molecular type Small molecule
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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pIC50 9.72 9.72 9.72 ChEMBL
SST1 SSR1 Human Somatostatin A pEC50 9.43 9.43 9.43 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 7.57 7.57 7.57 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 6.8 6.8 6.8 ChEMBL