etrasimod


SMILES OC(=O)C[C@H]1CCc2c1[nH]c1c2cc(cc1)OCc1ccc(c(c1)C(F)(F)F)C1CCCC1
InChIKey MVGWUTBTXDYMND-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 457.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 6.05 6.05 6.05 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.35 6.35 6.35 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database