CHEMBL2092996


SMILES COc1cc(C[C@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC
InChIKey MKRDKFSQEPQZSX-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 363.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 5.22 5.22 5.22 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 5.45 5.45 5.45 ChEMBL
TP TA2R Human Prostanoid A pIC50 5.61 5.61 5.61 ChEMBL