S-15535


SMILES C1COc2c(O1)cccc2N1CCN(CC1)C1Cc2c(C1)cccc2
InChIKey QJPPEMXOOWNICQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 336.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPER GPER1 Human Estrogen (G protein-coupled) A pKi 8.2 8.35 8.5 Guide to Pharmacology
GPER GPER1 Human Estrogen (G protein-coupled) A pKd 8.5 8.55 8.6 Guide to Pharmacology
GPER GPER1 Human Estrogen (G protein-coupled) A pKi 8.24 8.35 8.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.4 4.4 ChEMBL
GPBA GPBAR Human Bile acid A pEC50 4.42 4.42 4.42 ChEMBL
GPER GPER1 Human Estrogen (G protein-coupled) A pEC50 8.02 8.02 8.02 Drug Central
GPER GPER1 Human Estrogen (G protein-coupled) A pEC50 9.52 9.52 9.52 ChEMBL