YM-09538


SMILES CC1=C(C=C(C=C1)C(CNCCOC2=CC=CC=C2OC)O)S(=O)(=O)N.Cl
InChIKey JRVCPDVOFCWKAG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 416.1

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
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 7.88 7.88 7.88 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 8.36 8.36 8.36 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database