CHEMBL1079686


SMILES CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1
InChIKey NYMPDEKHLLUZPU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 567.3

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 5.3 5.3 5.3 PDSP Ki database
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
H1 HRH1 Human Histamine A pKi 5.3 5.3 5.3 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database