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-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 5.52 5.52 5.52 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.43 5.43 5.43 PDSP Ki database
5-HT1F 5HT1F Human 5-Hydroxytryptamine A pKi 5.35 5.35 5.35 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.68 5.68 5.68 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.04 6.04 6.04 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 PDSP Ki database
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.65 5.65 5.65 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
H1 HRH1 Human Histamine A pKi 5.64 5.64 5.64 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.0 6.0 6.0 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.0 6.0 6.0 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
Y1 NPY1R Human Neuropeptide Y A pKi 6.0 6.0 6.0 PDSP Ki database
NK2 NK2R Rat Tachykinin A pKi 6.0 6.0 6.0 PDSP Ki database
NK3 NK3R Rat Tachykinin A pKi 6.0 6.0 6.0 PDSP Ki database
μ OPRM Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 6.0 6.0 6.0 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
α2B ADA2B Mouse Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
CCK2 GASR Mouse Cholecystokinin A pKi 6.0 6.0 6.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 6.0 6.0 6.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
κ OPRK Guinea pig Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 6.0 6.0 6.0 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.27 8.27 8.27 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 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
H1 HRH1 Human Histamine A pKi 8.25 8.25 8.25 Drug Central
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 8.25 8.25 8.25 Drug Central
δ OPRD Rat Opioid A pKi 6.0 6.0 6.0 PDSP Ki database
NK1 NK1R Rat Tachykinin A pKi 6.0 6.0 6.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database