CHEMBL4461404


SMILES Cc1ccc(S[C@H]2O[C@H](CO)[C@@H](O)[C@H](OCCCCN)[C@@H]2NC(=O)Cc2c[nH]c3ccccc23)cc1
InChIKey NCTAAWICZPBLJA-PCLULWIESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 513.2

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 5.17 5.17 5.17 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 4.92 4.92 4.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST4 SSR4 Human Somatostatin A pIC50 5.16 5.16 5.16 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 4.75 4.75 4.75 ChEMBL