General Information of Drug (ID: DMPEB0Z)

Drug Name
AA-861 Drug Info
Synonyms
aa-861; DOCEBENONE; 80809-81-0; Docebenonum; Docebenona; AA861; Docebenone [USAN:INN]; Docebenonum [INN-Latin]; Docebenona [INN-Spanish]; UNII-2XRX3BD53M; 2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione; CHEBI:2340; A-61589; 2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone; 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone; 2XRX3BD53M; MLS000028467; A 61589; NCGC00015053-05; SMR000058412; 2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Terminated [1]
Cross-matching ID
PubChem CID
1967
ChEBI ID
CHEBI:2340
CAS Number
CAS 80809-81-0
TTD Drug ID
DMPEB0Z

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Discontinued Drug(s)
Investigative Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Zileuton DMVRIC2 Allergic asthma CA23.0 Approved [7]
Diethylcarbamazine DM1TJ8F Elephantiasis Approved [8]
Silymarin DMXBYQR N. A. N. A. Phase 4 [9]
3,4-Dihydroxycinnamic Acid DMVZL26 Thrombocytopenia 3B64 Phase 4 [10]
Avastin+/-Tarceva DMA86FL Non-small-cell lung cancer 2C25.Y Phase 3 [11]
ABT-761 DM3FIC2 Asthma CA23 Phase 3 [12]
Tenidap DMHQRYE Rheumatoid arthritis FA20 Phase 3 [13]
FPL-62064 DMGF8MZ Inflammation 1A00-CA43.1 Phase 3 [14]
Flobufen DMPSG4D Rheumatoid arthritis FA20 Phase 3 [15]
Darbufelone DMYVKM5 Asthma CA23 Phase 2/3 [16]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Meclofenamic acid DM05FXR Ankylosing spondylitis FA92.0 Approved [17]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [18]
SPI-1005 DM6XFHS Reperfusion injury ND56.Z Approved [19]
Fructose DM43AN2 Vomiting MD90 Approved [20]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [21]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [22]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [23]
Loratadine DMF3AN7 Allergy 4A80-4A85 Approved [24]
Zoledronate DMIXC7G Adenocarcinoma 2D40 Approved [25]
Niclosamide DMJAGXQ Cestodes infection 1F70-1F76 Approved [26]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Dexamethasone DMMWZET Acute adrenal insufficiency Approved [27]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [28]
Testosterone DM7HUNW Hot flushes GA30 Approved [29]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [29]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [30]
Disulfiram DMCL2OK Alcohol dependence 6C40.2 Approved [31]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [32]
Itraconazole DMCR1MV Aspergillosis 1F20 Approved [33]
Ethanol DMDRQZU Chronic pain MG30 Approved [34]
Oxymetholone DMFXUT8 Aplastic anemia 3A70 Approved [35]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [36]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [37]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [38]
Bepridil DM0RKS4 Chronic/stable angina BA40.1 Approved [39]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [40]
Selenium DM25CGV N. A. N. A. Approved [41]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [36]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [42]
Methotrexate DM2TEOL Anterior urethra cancer Approved [43]
Dactinomycin DM2YGNW Adult kidney Wilms tumor Approved [42]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Caspase-3 (CASP3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Sevoflurane DMC9O43 Anaesthesia 9A78.6 Approved [44]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [45]
Lovastatin DM9OZWQ Arteriosclerosis BD40 Approved [46]
Cidofovir DMA13GD Cytomegalovirus infection 1D82 Approved [47]
Docetaxel DMDI269 Advanced cancer 2A00-2F9Z Approved [48]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [49]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [50]
Mannitol DMSCDY9 Bronchiectasis CA24 Approved [51]
Doxorubicin DMVP5YE Acute myelogenous leukaemia 2A41 Approved [52]
Aprepitant DM053KT Depression 6A70-6A7Z Approved [53]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Panobinostat DM58WKG Chronic graft versus host disease Approved [54]
Flufenamic Acid DMC8VNH Dysmenorrhea GA34.3 Approved [55]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [56]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [57]
SNDX-275 DMH7W9X Breast cancer 2C60-2C65 Phase 3 [54]
Benzo(a)pyrene DMN7J43 N. A. N. A. Phase 1 [58]
Geldanamycin DMS7TC5 Kidney cancer 2C90.0 Discontinued in Phase 2 [59]
bisphenol A DM2ZLD7 Discovery agent N.A. Investigative [60]
Trichostatin A DM9C8NX Solid tumour/cancer 2A00-2F9Z Investigative [59]
⏷ Show the Full List of 9 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
11-beta-hydroxysteroid dehydrogenase type 2 (HSD11B2) OTHF4H9U DHI2_HUMAN Gene/Protein Processing [3]
Caspase-3 (CASP3) OTIJRBE7 CASP3_HUMAN Gene/Protein Processing [4]
Polyunsaturated fatty acid 5-lipoxygenase (ALOX5) OT7FOIK2 LOX5_HUMAN Gene/Protein Processing [5]
Short transient receptor potential channel 6 (TRPC6) OT5J7HVM TRPC6_HUMAN Gene/Protein Processing [4]
Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B) OTA1CPBV TR10B_HUMAN Gene/Protein Processing [6]

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000099)
2 Platelets stimulate airway smooth muscle cell proliferation through mechanisms involving 5-lipoxygenase and reactive oxygen species. Platelets. 2008 Nov;19(7):528-36.
3 Effect of the interaction between lipoxygenase pathway and progesterone on the regulation of hydroxysteroid 11-Beta dehydrogenase 2 in cultured human term placental trophoblasts. Biol Reprod. 2008 Mar;78(3):514-20.
4 The role of transient receptor potential channel blockers in human gastric cancer cell viability. Can J Physiol Pharmacol. 2012 Feb;90(2):175-86. doi: 10.1139/y11-114. Epub 2012 Feb 6.
5 Species difference of 5-lipoxygenase derived from polymorphonuclear leukocytes on sensitivity to drugs. Jpn J Pharmacol. 1989 May;50(1):37-46.
6 Lipoxygenase inhibitors induce death receptor 5/TRAIL-R2 expression and sensitize malignant tumor cells to TRAIL-induced apoptosis. Cancer Sci. 2007 Sep;98(9):1417-23. doi: 10.1111/j.1349-7006.2007.00559.x. Epub 2007 Jul 23.
7 5-lipoxygenase inhibitor zileuton attenuates ischemic brain damage: involvement of matrix metalloproteinase 9. Neurol Res. 2009 Oct;31(8):848-52.
8 Inhibition of leukotriene formation by diethylcarbamazine modifies the acid-base balance in the rabbits with blast injuries of the lungs. Vojnosanit Pregl. 1999 May-Jun;56(3):243-7.
9 Anti-inflammatory and anti-arthritic activities of silymarin acting through inhibition of 5-lipoxygenase. Phytomedicine. 2000 Mar;7(1):21-4.
10 Phenidone protects the nigral dopaminergic neurons from LPS-induced neurotoxicity. Neurosci Lett. 2008 Nov 7;445(1):1-6.
11 Simple analogues of anthralin: unusual specificity of structure and antiproliferative activity. J Med Chem. 1997 Nov 7;40(23):3773-80.
12 Treatment with 5-lipoxygenase inhibitor VIA-2291 (Atreleuton) in patients with recent acute coronary syndrome. Circ Cardiovasc Imaging. 2010 May;3(3):298-307.
13 The in vitro free radical scavenging activity of tenidap, a new dual cyclo-oxygenase and 5-1ipoxygenase inhibitor. Mediators Inflamm. 1992;1(2):141-3.
14 FPL 62064, a topically active 5-lipoxygenase/cyclooxygenase inhibitor. Agents Actions. 1990 Jun;30(3-4):432-42.
15 Pharmacological profile of the novel potent antirheumatic 4-(2',4'-difluorobiphenyl-4-yl)-2-methyl-4-oxobutanoic acid. Arzneimittelforschung. 1997 May;47(5):648-52.
16 Novel dual cyclooxygenase and lipoxygenase inhibitors targeting hyaluronan-CD44v6 pathway and inducing cytotoxicity in colon cancer cells. Bioorg Med Chem. 2013 May 1;21(9):2551-9.
17 Meclofenamate sodium is an inhibitor of both the 5-lipoxygenase and cyclooxygenase pathways of the arachidonic acid cascade in vitro. Prostaglandins Leukot Med. 1986 Aug;23(2-3):229-38.
18 Resveratrol prevents apoptosis in K562 cells by inhibiting lipoxygenase and cyclooxygenase activity. Eur J Biochem. 1999 Oct 1;265(1):27-34.
19 Molecular actions of ebselen--an antiinflammatory antioxidant. Gen Pharmacol. 1995 Oct;26(6):1153-69.
20 Non-nutritional sweeteners effects on endothelial vascular function. Toxicol In Vitro. 2020 Feb;62:104694. doi: 10.1016/j.tiv.2019.104694. Epub 2019 Oct 23.
21 Immediate up-regulation of the calcium-binding protein S100P and its involvement in the cytokinin-induced differentiation of human myeloid leukemia cells. Biochim Biophys Acta. 2005 Sep 10;1745(2):156-65.
22 Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
23 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
24 Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.
25 Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.
26 Mitochondrial uncoupling reveals a novel therapeutic opportunity for p53-defective cancers. Nat Commun. 2018 Sep 26;9(1):3931.
27 SGK1, a potential regulator of c-fms related breast cancer aggressiveness. Clin Exp Metastasis. 2004;21(6):477-83.
28 Time series analysis of oxidative stress response patterns in HepG2: a toxicogenomics approach. Toxicology. 2013 Apr 5;306:24-34.
29 Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
30 Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
31 Species-specific differences in the inhibition of human and zebrafish 11beta-hydroxysteroid dehydrogenase 2 by thiram and organotins. Toxicology. 2012 Nov 15;301(1-3):72-8.
32 Antiepileptic drugs are endocrine disruptors for the human fetal testis ex vivo. Toxicol Sci. 2023 Sep 28;195(2):169-183. doi: 10.1093/toxsci/kfad076.
33 Inhibition of 11-hydroxysteroid dehydrogenase 2 by the fungicides itraconazole and posaconazole. Biochem Pharmacol. 2017 Apr 15;130:93-103. doi: 10.1016/j.bcp.2017.01.010. Epub 2017 Jan 25.
34 cAMP/PKA/EGR1 signaling mediates the molecular mechanism of ethanol-induced inhibition of placental 11beta-HSD2 expression. Toxicol Appl Pharmacol. 2018 Aug 1;352:77-86.
35 The anabolic androgenic steroid fluoxymesterone inhibits 11beta-hydroxysteroid dehydrogenase 2-dependent glucocorticoid inactivation. Toxicol Sci. 2012 Apr;126(2):353-61.
36 Utilization of CDKN1A/p21 gene for class discrimination of DNA damage-induced clastogenicity. Toxicology. 2014 Jan 6;315:8-16. doi: 10.1016/j.tox.2013.10.009. Epub 2013 Nov 6.
37 Regulation of DR-5 protein and mitochondrial transmembrane potential by gemcitabine, a possible mechanism of gemcitabine-enhanced TRAIL-induced apoptosis. Oncol Rep. 2007 Sep;18(3):523-9.
38 Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
39 Amiodarone sensitizes human glioma cells but not astrocytes to TRAIL-induced apoptosis via CHOP-mediated DR5 upregulation. Neuro Oncol. 2011 Mar;13(3):267-79. doi: 10.1093/neuonc/noq195. Epub 2011 Feb 3.
40 Novel functional view of the crocidolite asbestos-treated A549 human lung epithelial transcriptome reveals an intricate network of pathways with opposing functions. BMC Genomics. 2008 Aug 7;9:376.
41 Death receptor 5 regulation during selenium-mediated apoptosis in human prostate cancer cells. Cancer Biol Ther. 2002 May-Jun;1(3):287-90. doi: 10.4161/cbt.83.
42 Death receptor regulation and celecoxib-induced apoptosis in human lung cancer cells. J Natl Cancer Inst. 2004 Dec 1;96(23):1769-80. doi: 10.1093/jnci/djh322.
43 Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
44 Different apoptosis ratios and gene expressions in two human cell lines after sevoflurane anaesthesia. Acta Anaesthesiol Scand. 2009 Oct;53(9):1192-9. doi: 10.1111/j.1399-6576.2009.02036.x. Epub 2009 Jun 30.
45 [Mechanisms underlying the effect of arsenic trioxide on proliferation inhibition and apoptosis induction in myeloma cell line u266]. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2007 Oct;15(5):982-5.
46 Lovastatin lactone elicits human lung cancer cell apoptosis via a COX-2/PPAR-dependent pathway. Oncotarget. 2016 Mar 1;7(9):10345-62. doi: 10.18632/oncotarget.7213.
47 Induction of apoptosis by cidofovir in human papillomavirus (HPV)-positive cells. Oncol Res. 2000;12(9-10):397-408. doi: 10.3727/096504001108747855.
48 Comparison of burst of reactive oxygen species and activation of caspase-3 in apoptosis of K562 and HL-60 cells induced by docetaxel. Cancer Lett. 2004 Oct 8;214(1):103-13. doi: 10.1016/j.canlet.2004.03.047.
49 Induction of mitochondrial manganese superoxide dismutase confers resistance to apoptosis in acute myeloblastic leukaemia cells exposed to etoposide. Br J Haematol. 2000 Mar;108(3):574-81. doi: 10.1046/j.1365-2141.2000.01852.x.
50 Cisplatin-enhanced sensitivity of glioblastoma multiforme U251 cells to adenovirus-delivered TRAIL in vitro. Tumour Biol. 2010 Dec;31(6):613-22. doi: 10.1007/s13277-010-0077-x. Epub 2010 Jul 11.
51 Insulin-like growth factor I is the key growth factor in serum that protects neuroblastoma cells from hyperosmotic-induced apoptosis. J Cell Physiol. 2000 Jan;182(1):24-32. doi: 10.1002/(SICI)1097-4652(200001)182:1<24::AID-JCP3>3.0.CO;2-6.
52 mRNA expression analysis of a variety of apoptosis-related genes, including the novel gene of the BCL2-family, BCL2L12, in HL-60 leukemia cells after treatment with carboplatin and doxorubicin. Biol Chem. 2004 Nov;385(11):1099-103. doi: 10.1515/BC.2004.143.
53 Neurokinin-1 receptor (NK1R) inhibition sensitizes APL cells to anti-tumor effect of arsenic trioxide via restriction of NF-B axis: Shedding new light on resistance to Aprepitant. Int J Biochem Cell Biol. 2018 Oct;103:105-114. doi: 10.1016/j.biocel.2018.08.010. Epub 2018 Aug 23.
54 A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
55 Evidence of a role for TRPC channels in VEGF-mediated increased vascular permeability in vivo. Am J Physiol Heart Circ Physiol. 2004 Mar;286(3):H1015-26. doi: 10.1152/ajpheart.00826.2003. Epub 2003 Oct 9.
56 Design principles of concentration-dependent transcriptome deviations in drug-exposed differentiating stem cells. Chem Res Toxicol. 2014 Mar 17;27(3):408-20.
57 Effects of progesterone treatment on expression of genes involved in uterine quiescence. Reprod Sci. 2011 Aug;18(8):781-97.
58 Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
59 Identification of transcriptome signatures and biomarkers specific for potential developmental toxicants inhibiting human neural crest cell migration. Arch Toxicol. 2016 Jan;90(1):159-80.
60 Bisphenol A induces DSB-ATM-p53 signaling leading to cell cycle arrest, senescence, autophagy, stress response, and estrogen release in human fetal lung fibroblasts. Arch Toxicol. 2018 Apr;92(4):1453-1469.