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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.0 6.0 6.0 Guide to Pharmacology
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.22 8.22 8.22 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.19 8.19 8.19 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
H1 HRH1 Human Histamine A pKi 8.25 8.25 8.25 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.61 5.61 5.61 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database