CHEMBL2181226


SMILES Cc1ccc(C)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)c1
InChIKey JQULIQJSYPZQMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 399.2

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
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.9 5.9 5.9 ChEMBL
H1 HRH1 Human Histamine A pKi 5.99 5.99 5.99 ChEMBL
κ OPRK Human Opioid A pKi 5.95 5.95 5.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.17 5.17 5.17 ChEMBL
GPBA GPBAR Mouse Bile acid A pEC50 8.21 8.21 8.21 ChEMBL
GPBA GPBAR Human Bile acid A pEC50 9.14 9.14 9.14 ChEMBL