duloxetine


SMILES CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2
InChIKey ZEUITGRIYCTCEM-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 297.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Rat Adrenoceptors A pKi 6.61 6.61 6.61 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 5.82 5.84 5.87 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.92 7.95 8.05 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.53 5.57 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pIC50 7.8 8.1 8.4 Guide to Pharmacology
α1A ADA1A Rabbit Adrenoceptors A pEC50 8.03 8.03 8.03 ChEMBL
α1D ADA1D Rat Adrenoceptors A pEC50 5.58 5.59 5.59 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 7.66 7.84 8.03 ChEMBL
α1B ADA1B Rat Adrenoceptors A pEC50 6.5 6.5 6.5 ChEMBL
α1A ADA1A Rat Adrenoceptors A pEC50 8.24 8.24 8.24 ChEMBL