CHEMBL510793


SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)CCOCCOCCOCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(N)=O)NC1=O
InChIKey KEQLKLNNERRVOU-YSDDOURYSA-N

Chemical properties

Hydrogen bond acceptors 25
Hydrogen bond donors 18
Rotatable bonds 40
Molecular weight (Da) 1808.7

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
SST4 SSR4 Human Somatostatin A pIC50 6.14 6.14 6.14 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 6.05 6.05 6.05 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 7.4 7.4 7.4 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 7.06 7.06 7.06 ChEMBL