CHEMBL187768


SMILES Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12
InChIKey XFPKKPUAPZGFCK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 456.2

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
SST1 SSR1 Human Somatostatin A pKi 6.89 6.89 6.89 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 6.85 6.85 6.85 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 8.74 8.74 8.74 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 7.39 7.39 7.39 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 8.68 8.68 8.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Human Somatostatin A pEC50 7.66 7.66 7.66 ChEMBL
SST5 SSR5 Human Somatostatin A pEC50 7.47 7.47 7.47 ChEMBL