CHEMBL4565294


SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(C(=N)N)cc1
InChIKey PYYIGZSQKIBTPL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 411.1

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
μ OPRM Rat Opioid A pKi 4.14 4.14 4.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MRGPRX1 MRGX1 Human A orphans A pEC50 7.0 7.0 7.0 ChEMBL