CHEMBL1082036


SMILES CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1
InChIKey FRDOPYUUNJUZKI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 543.2

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
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 4.42 4.42 4.42 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 5.0 5.0 5.0 PDSP Ki database
SST3 SSR3 Human Somatostatin A pKi 5.0 5.0 5.0 PDSP Ki database
SST4 SSR4 Human Somatostatin A pKi 5.0 5.0 5.0 PDSP Ki database
SST5 SSR5 Human Somatostatin A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database