CHEMBL282618


SMILES NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIKey XESWSTANEUBVSE-QBLDGPCBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 20
Molecular weight (Da) 678.4

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
SST1 SSR1 Human Somatostatin A pKi 5.4 5.4 5.4 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 5.78 5.87 5.96 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 5.43 5.43 5.43 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 5.34 5.54 5.75 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 5.55 5.55 5.55 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 6.92 6.92 6.92 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.52 5.52 5.52 ChEMBL