Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DM8FMYL)

• Drug Name: Decanoic Acid Drug Info
• Synonyms: Decanoic acid; CAPRIC ACID; 334-48-5; n-Decanoic acid; n-Capric acid; Decylic acid; Caprinic acid; Decoic acid; n-Decylic acid; n-Decoic acid; 1-Nonanecarboxylic acid; Caprynic acid; Neo-fat 10; Hexacid 1095; decanoate; tert-DECANOIC ACID; C10 fatty acid; Versatic 10 acid; Versatic 10; Fatty acid(C10); NSC 5025; Econosan Acid Sanitizer; Decanoic acid (natural); UNII-4G9EDB6V73; FEMA No. 2364; CCRIS 4610; HSDB 2751; Emery 659; C10:0; EINECS 206-376-4; EPA Pesticide Chemical Code 128955; BRN 1754556; AI3-04453; 4G9EDB6V73; CHEBI:30813

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 2969
  ChEBI ID: CHEMBL107498
  CAS Number: CAS 334-48-5
  TTD Drug ID: DM8FMYL

Molecule-Related Drug Atlas

Drug(s) Targeting Mycobacterium 3-oxoacyl-[acyl-carrier-protein] synthase 1 (MycB kasA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lauric Acid	DM9C8KQ	Discovery agent	N.A.	Investigative	[2]
2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE	DM60AJ2	Discovery agent	N.A.	Investigative	[6]
Caprylic acid	DMLGS82	Discovery agent	N.A.	Investigative	[7]

Drug(s) Affected By Claudin-1 (CLDN1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[8]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[9]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[10]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[11]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[12]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[13]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[14]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[15]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[16]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[17]

Drug(s) Affected By Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[11]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[18]
Fructose	DM43AN2	Vomiting	MD90	Approved	[19]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[20]
Isoniazid	DM5JVS3	Latent tuberculosis infection		Approved	[21]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[22]
Ketotifen	DM74XKS	Allergic conjunctivitis	9A60.02	Approved	[23]
Riboflavin	DM8YMWE	Acne vulgaris	ED80	Approved	[4]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[17]
Glutathione	DMAHMT9	Human immunodeficiency virus infection	1C62	Approved	[4]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium 3-oxoacyl-[acyl-carrier-protein] synthase 1 (MycB kasA)	TTPH97Y	FAB1_MYCTU	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Claudin-1 (CLDN1)	OT27KV99	CLD1_HUMAN	Protein Interaction/Cellular Processes	[3]
Peroxisome proliferator-activated receptor gamma coactivator 1-alpha (PPARGC1A)	OTHCDQ22	PRGC1_HUMAN	Gene/Protein Processing	[4]
UDP-glucuronosyltransferase 1A3	OTUEOER3	UD13_HUMAN	Biotransformations	[5]

References

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• [2] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [3] Difructose anhydride III and sodium caprate activate paracellular transport via different intracellular events in Caco-2 cells. Life Sci. 2006 Jun 20;79(4):401-10. doi: 10.1016/j.lfs.2006.01.044. Epub 2006 Mar 29.
• [4] A cardiac-specific robotized cellular assay identified families of human ligands as inducers of PGC-1 expression and mitochondrial biogenesis. PLoS One. 2012;7(10):e46753. doi: 10.1371/journal.pone.0046753. Epub 2012 Oct 3.
• [5] In vitro studies in microsomes from rat and human liver, kidney, and intestine suggest that perfluorooctanoic acid is not a substrate for microsomal UDP-glucuronosyltransferases. Drug Chem Toxicol. 2005;28(3):281-7. doi: 10.1081/dct-200064468.
• [6] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [7] Characterization of ochratoxin A transport by human organic anion transporters. Life Sci. 2001 Sep 21;69(18):2123-35.
• [8] Cannabidiol induces osteoblast differentiation via angiopoietin1 and p38 MAPK. Environ Toxicol. 2020 Dec;35(12):1318-1325. doi: 10.1002/tox.22996. Epub 2020 Jul 13.
• [9] Unique signatures of stress-induced senescent human astrocytes. Exp Neurol. 2020 Dec;334:113466. doi: 10.1016/j.expneurol.2020.113466. Epub 2020 Sep 17.
• [10] Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
• [11] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [12] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [13] 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.
• [14] 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.
• [15] Proteomics investigation of protein expression changes in ouabain induced apoptosis in human umbilical vein endothelial cells. J Cell Biochem. 2008 Jun 1;104(3):1054-64. doi: 10.1002/jcb.21691.
• [16] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [17] Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
• [18] Troglitazone induces cytotoxicity in part by promoting the degradation of peroxisome proliferator-activated receptor co-activator-1 protein. Br J Pharmacol. 2010 Oct;161(4):771-81. doi: 10.1111/j.1476-5381.2010.00900.x.
• [19] Effects of four-week high-fructose diet on gene expression in skeletal muscle of healthy men. Diabetes Metab. 2008 Feb;34(1):82-5. doi: 10.1016/j.diabet.2007.08.004. Epub 2007 Dec 11.
• [20] Glucosamine-induced endoplasmic reticulum stress affects GLUT4 expression via activating transcription factor 6 in rat and human skeletal muscle cells. Diabetologia. 2010 May;53(5):955-65. doi: 10.1007/s00125-010-1676-1. Epub 2010 Feb 18.
• [21] AMPK activator acadesine fails to alleviate isoniazid-caused mitochondrial instability in HepG2 cells. J Appl Toxicol. 2017 Oct;37(10):1219-1224. doi: 10.1002/jat.3483. Epub 2017 May 29.
• [22] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [23] Advantageous use of HepaRG cells for the screening and mechanistic study of drug-induced steatosis. Toxicol Appl Pharmacol. 2016 Jul 1;302:1-9. doi: 10.1016/j.taap.2016.04.007. Epub 2016 Apr 16.