Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01AXB
|
|||
| Former ID |
DAP000494
|
|||
| Drug Name |
Duloxetine
|
|||
| Synonyms |
Yentreve; LY 248686; Cymbalta (TN); Duloxetine (INN); Duloxetine [INN:BAN]; Yentreve (TN); Duloxetine, (+)-isomer; (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine; (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine; (S)-Duloxetine; (S)-N-Methyl-gamma-(1-naphthalenyloxy)-2-thiophenepropanamine
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Depression [ICD-11: 6A70-6A7Z; ICD-9: 311] | Approved | [1], [2] | |
| Therapeutic Class |
Antidepressants
|
|||
| Company |
Eli Lilly
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C18H19NOS
|
|||
| Canonical SMILES |
CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
|
|||
| InChI |
1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1
|
|||
| InChIKey |
ZEUITGRIYCTCEM-KRWDZBQOSA-N
|
|||
| CAS Number |
CAS 116539-59-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
8187086, 14849439, 14873633, 17425390, 26719725, 26757978, 43118173, 46386929, 46507937, 47285864, 47285865, 47731256, 47805543, 49681583, 50064210, 57314139, 79667093, 92308395, 92714465, 96024576, 103343183, 104026883, 104321767, 117535453, 124658786, 124893161, 126624113, 126633258, 126655387, 126670564, 129892280, 134224927, 134337787, 134338555, 135085912, 135650212, 135723690, 136350845, 137001412, 142415452, 151990477, 160831212, 160963822, 162011976, 163094868, 163393050, 164188025, 164188041, 164831613, 172080136
|
|||
| ChEBI ID |
CHEBI:36795
|
|||
| ADReCS Drug ID | BADD_D00734 ; BADD_D00735 | |||
| SuperDrug ATC ID |
N06AX21
|
|||
| Interaction between the Drug and Microbe | Top | |||
|---|---|---|---|---|
| The Metabolism of Drug Affected by Studied Microbe(s) | ||||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Bacteroidales | ||||
|
Studied Microbe: Bacteroides coprophilus DSM 18228
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Bacteroides coprophilus DSM 18228 (log2FC = -0.843; p = 0.008). | |||
|
Studied Microbe: Bacteroides dorei DSM 17855
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Bacteroides dorei DSM 17855 (log2FC = -0.455; p = 0.014). | |||
|
Studied Microbe: Bacteroides ovatus ATCC 8483
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Bacteroides ovatus ATCC 8483 (log2FC = -0.478; p = 0.021). | |||
|
Studied Microbe: Bacteroides thetaiotaomicron VPI-5482
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be metabolized by Bacteroides thetaiotaomicron VPI-5482. | |||
|
Studied Microbe: Bacteroides uniformis
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Bacteroides uniformis. | |||
|
Studied Microbe: Bacteroides uniformis ATCC 8492
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Bacteroides uniformis ATCC 8492 (log2FC = -0.345; p = 0.041). | |||
|
Studied Microbe: Bacteroides uniformis CL03T00C23
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Bacteroides uniformis CL03T00C23. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Enterobacterales | ||||
|
Studied Microbe: Enterobacter cancerogenus ATCC35316
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Enterobacter cancerogenus ATCC35316 (log2FC = -0.343; p = 0.043). | |||
|
Studied Microbe: Escherichia coli BW25113
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Escherichia coli BW25113 (log2FC = -0.576; p = 0.01). | |||
|
Studied Microbe: Escherichia coli IAI1
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Escherichia coli IAI1. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Eubacteriales | ||||
|
Studied Microbe: Blautia hansenii DSM20583
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Blautia hansenii DSM20583 (log2FC = -0.632; p = 0.012). | |||
|
Studied Microbe: Clostridium saccharolyticum DSM 2544
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Clostridium saccharolyticum DSM 2544. | |||
|
Studied Microbe: Clostridium sp.
Show/Hide Hierarchy
|
[3] | |||
| Hierarchy | ||||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by Clostridium sp. (log2FC = -0.573; p = 0.002). | |||
|
Studied Microbe: Enterocloster bolteae ATCC BAA-613
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Enterocloster bolteae ATCC BAA-613. | |||
|
Studied Microbe: Ruminococcus gnavus ATCC 29149
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Ruminococcus gnavus ATCC 29149. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Lactobacillales | ||||
|
Studied Microbe: Lacticaseibacillus paracasei
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Lacticaseibacillus paracasei. | |||
|
Studied Microbe: Lactiplantibacillus plantarum WCFS1
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Lactiplantibacillus plantarum WCFS1. | |||
|
Studied Microbe: Streptococcus salivarius
Show/Hide Hierarchy
|
[4] | |||
| Hierarchy | ||||
| Description | Duloxetine can be accumulated by Streptococcus salivarius. | |||
| The Order in the Taxonomic Hierarchy of the following Microbe(s): Gut microbiota | ||||
| Studied Microbe: Gut microbiota unspecific | [5] | |||
| Experimental Method | High-throughput screening | |||
| Description | Duloxetine can be metabolized by gut microbiota. | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Norepinephrine transporter (NET) | Target Info | Inhibitor | [6], [7] |
| Serotonin transporter (SERT) | Target Info | Inhibitor | [6], [7] | |
| KEGG Pathway | Serotonergic synapse | |||
| NetPath Pathway | TCR Signaling Pathway | |||
| Panther Pathway | 5HT1 type receptor mediated signaling pathway | |||
| 5HT2 type receptor mediated signaling pathway | ||||
| 5HT3 type receptor mediated signaling pathway | ||||
| 5HT4 type receptor mediated signaling pathway | ||||
| Adrenaline and noradrenaline biosynthesis | ||||
| Reactome | Na+/Cl- dependent neurotransmitter transporters | |||
| WikiPathways | Monoamine Transport | |||
| SIDS Susceptibility Pathways | ||||
| NRF2 pathway | ||||
| Synaptic Vesicle Pathway | ||||
| Serotonin Transporter Activity | ||||
| Transport of glucose and other sugars, bile salts and organic acids, metal ions and amine compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 202). | |||
| REF 2 | Emerging treatments for depression. Expert Opin Pharmacother. 2006 Dec;7(17):2323-39. | |||
| REF 3 | Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467. | |||
| REF 4 | Bioaccumulation of therapeutic drugs by human gut bacteria. Nature. 2021 Sep;597(7877):533-538. | |||
| REF 5 | Personalized Mapping of Drug Metabolism by the Human Gut Microbiome. Cell. 2020 Jun 25;181(7):1661-1679.e22. | |||
| REF 6 | Multi-target therapeutics: when the whole is greater than the sum of the parts. Drug Discov Today. 2007 Jan;12(1-2):34-42. | |||
| REF 7 | Duloxetine for the treatment of generalized anxiety disorder: a review. Neuropsychiatr Dis Treat. 2009;5:23-31. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.