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

General Information of Drug (ID: DMLGS82)

• Drug Name: Caprylic acid Drug Info
• Synonyms: octanoic acid; caprylic acid; 124-07-2; n-octanoic acid; n-caprylic acid; Octylic acid; octoic acid; n-octylic acid; n-Octoic acid; neo-fat 8; 1-heptanecarboxylic acid; Enantic acid; Octic acid; C-8 acid; Caprylsaeure; capryloate; Kaprylsaeure; Hexacid 898; Acido octanoico; Acide octanoique; 0ctanoic acid; Acidum octanocium; Caprylic acid (natural); Kyselina kaprylova; Fatty acids, C6-10; octylate; Octansaeure; Acide octanoique [French]; 1-octanoic acid; Acidum octanocium [Latin]; Acido octanoico [Spanish]; NSC 5024; Kyselina kaprylova [C

Indication

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

• Cross-matching ID:
  PubChem CID: 379
  ChEBI ID: CHEMBL324846
  CAS Number: CAS 124-07-2
  TTD Drug ID: DMLGS82

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	[5]
Decanoic Acid	DM8FMYL	Discovery agent	N.A.	Investigative	[5]
2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE	DM60AJ2	Discovery agent	N.A.	Investigative	[6]

Drug(s) Affected By Interleukin-8 (CXCL8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[7]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[8]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[9]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[10]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[11]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[12]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[13]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[14]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[15]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[13]

Drug(s) Affected By Guanine nucleotide-binding protein subunit alpha-15 (GNA15)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Quercetin	DM3NC4M	Obesity	5B81	Approved	[16]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[17]
Demecolcine	DMCZQGK	Solid tumour/cancer	2A00-2F9Z	Approved	[18]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[19]
Azelaic Acid	DMHVL0J	Acne vulgaris	ED80	Approved	[3]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[20]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[21]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[22]
Formaldehyde	DM7Q6M0	Discovery agent	N.A.	Investigative	[18]
geraniol	DMS3CBD	Discovery agent	N.A.	Investigative	[3]

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
Guanine nucleotide-binding protein subunit alpha-15 (GNA15)	OTFYRZGV	GNA15_HUMAN	Drug Response	[3]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[4]

References

• [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: 4585).
• [2] Characterization of ochratoxin A transport by human organic anion transporters. Life Sci. 2001 Sep 21;69(18):2123-35.
• [3] Identification of specific ligands for orphan olfactory receptors. G protein-dependent agonism and antagonism of odorants. J Biol Chem. 2005 Mar 25;280(12):11807-15. doi: 10.1074/jbc.M411508200. Epub 2004 Dec 14.
• [4] An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens. Toxicol In Vitro. 2017 Apr;40:11-25. doi: 10.1016/j.tiv.2016.12.005. Epub 2016 Dec 10.
• [5] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [6] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [7] Monomeric and oligomeric flavanols maintain the endogenous glucocorticoid response in human macrophages in pro-oxidant conditions in vitro. Chem Biol Interact. 2018 Aug 1;291:237-244.
• [8] Nicotine up-regulates IL-8 expression in human gingival epithelial cells following stimulation with IL-1 or P. gingivalis lipopolysaccharide via nicotinic acetylcholine receptor signalling. Arch Oral Biol. 2012 May;57(5):483-90. doi: 10.1016/j.archoralbio.2011.10.007. Epub 2011 Nov 25.
• [9] Ca(2+) Signaling and IL-8 Secretion in Human Testicular Peritubular Cells Involve the Cation Channel TRPV2. Int J Mol Sci. 2018 Sep 19;19(9):2829. doi: 10.3390/ijms19092829.
• [10] Calcium pantothenate modulates gene expression in proliferating human dermal fibroblasts. Exp Dermatol. 2009 Nov;18(11):969-78. doi: 10.1111/j.1600-0625.2009.00884.x. Epub 2009 Apr 8.
• [11] Nitrogen mustard prevents transport of Fra-1 into the nucleus to promote c-Fos- and FosB-dependent IL-8 induction in injured mouse epidermis. Toxicol Lett. 2020 Feb 1;319:256-263. doi: 10.1016/j.toxlet.2019.10.006. Epub 2019 Oct 19.
• [12] ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
• [13] An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.
• [14] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [15] Nitric oxide synthase inhibitors attenuate ozone-induced airway inflammation in guinea pigs. Possible role of interleukin-8. Am J Respir Crit Care Med. 2000 Jan;161(1):249-56. doi: 10.1164/ajrccm.161.1.9804096.
• [16] Integrated assessment by multiple gene expression analysis of quercetin bioactivity on anticancer-related mechanisms in colon cancer cells in vitro. Eur J Nutr. 2005 Mar;44(3):143-56. doi: 10.1007/s00394-004-0503-1. Epub 2004 Apr 30.
• [17] 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.
• [18] Characterization of formaldehyde's genotoxic mode of action by gene expression analysis in TK6 cells. Arch Toxicol. 2013 Nov;87(11):1999-2012.
• [19] Blood transcript immune signatures distinguish a subset of people with elevated serum ALT from others given acetaminophen. Clin Pharmacol Ther. 2016 Apr;99(4):432-41.
• [20] Bromodomain-containing protein 4 (BRD4) regulates RNA polymerase II serine 2 phosphorylation in human CD4+ T cells. J Biol Chem. 2012 Dec 14;287(51):43137-55.
• [21] 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.
• [22] DNA methylome-wide alterations associated with estrogen receptor-dependent effects of bisphenols in breast cancer. Clin Epigenetics. 2019 Oct 10;11(1):138. doi: 10.1186/s13148-019-0725-y.