General Information of Drug (ID: DMAW0R7)

Drug Name
PELARGONIDIN CHLORIDE Drug Info
Synonyms
Pelargonidin chloride; Pelargonidin; 134-04-3; Pelargonidol chloride; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride; UNII-DFL6200791; 3,4',5,7-Tetrahydroxyflavylium chloride; 3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride; CHEBI:28510; DFL6200791; 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride; 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride; CHEMBL591036; 2-(4-hydroxyphenyl)chromenylium-3,5,7-triol chloride; C15H11O5.Cl; EINECS 205-127-7; pelargonidine chloride
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
67249
ChEBI ID
CHEBI:28510
CAS Number
CAS 134-04-3
TTD Drug ID
DMAW0R7

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Clinical Trial Drug(s)
Investigative Drug(s)
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
BAICALEIN DM4C7E6 Influenza virus infection 1E30-1E32 Phase 2 [4]
NARINGENIN DMHAZLM N. A. N. A. Phase 1 [4]
2-Sulfhydryl-Ethanol DMJBO3D Discovery agent N.A. Investigative [5]
KAEMPFEROL DMHEMUB Discovery agent N.A. Investigative [4]
S-(N-butyl-N-hydroxycarbamoyl)glutathione DMU7EQV Discovery agent N.A. Investigative [6]
S-(N-heptyl-N-hydroxycarbamoyl)glutathione DMV6T1Q Discovery agent N.A. Investigative [6]
S-(N-propyl-N-hydroxycarbamoyl)glutathione DMRFKZ6 Discovery agent N.A. Investigative [6]
S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione DM1AHIW Discovery agent N.A. Investigative [5]
S-(N-pentyl-N-hydroxycarbamoyl)glutathione DM4E9J2 Discovery agent N.A. Investigative [6]
S-(N-methyl-N-hydroxycarbamoyl)glutathione DM1C9W3 Discovery agent N.A. Investigative [6]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cytochrome P450 1A2 (CYP1A2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Zolmitriptan DM1IB4Q Migraine 8A80 Approved [7]
Rofecoxib DM3P5DA Osteoarthritis FA00-FA05 Approved [7]
Etoricoxib DM6A4NW Rheumatoid arthritis FA20 Approved [7]
Capsaicin DMGMF6V Back pain ME84.Z Approved [8]
Hesperetin DMKER83 High blood cholesterol level 5C80.00 Approved [9]
Stiripentol DMMSDOY Dravet syndrome 8A61.11 Approved [10]
Nifedipine DMSVOZT Angina pectoris BA40 Approved [11]
Zileuton DMVRIC2 Allergic asthma CA23.0 Approved [12]
Nicotine DMWX5CO Lung cancer 2C25.0 Approved [13]
Clonidine DM6RZ9Q Attention deficit hyperactivity disorder 6A05.Z Approved [14]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cytochrome P450 1A1 (CYP1A1)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Amodiaquine DME4RA8 Malaria 1F40-1F45 Approved [15]
Riluzole DMECBWN Amyotrophic lateral sclerosis 8B60.0 Approved [16]
Flutamide DMK0O7U Prostate cancer 2C82.0 Approved [17]
Menadione DMSJDTY Vitamin K deficiency 5B59 Approved [18]
Estradiol DMUNTE3 Acne vulgaris ED80 Approved [19]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [20]
Ethacrynic acid DM60QMR Edema MG29 Approved [21]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [22]
Ethinyl Estradiol DMODJ40 Acne vulgaris ED80 Approved [23]
Clofibrate DMPC1J7 Dysbetalipoproteinemia 5C80.2 Approved [24]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [25]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [26]
Citalopram DM2G9AE Acute coronary syndrome BA41 Approved [27]
Colchicine DM2POTE Acute gout flare FA25.0 Approved [28]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [29]
Quercetin DM3NC4M Obesity 5B81 Approved [30]
Omeprazole DM471KJ Cystic fibrosis CA25 Approved [31]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [32]
Rifampicin DM5DSFZ Non-insulin dependent diabetes 5A11 Approved [33]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [34]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactoylglutathione lyase (GLO1) TTV9A7R LGUL_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Aryl hydrocarbon receptor (AHR) OTFE4EYE AHR_HUMAN Gene/Protein Processing [2]
Cytochrome P450 1A1 (CYP1A1) OTE4EFH8 CP1A1_HUMAN Gene/Protein Processing [2]
Cytochrome P450 1A2 (CYP1A2) OTLLBX48 CP1A2_HUMAN Gene/Protein Processing [3]

References

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2 Effects of anthocyanins on the AhR-CYP1A1 signaling pathway in human hepatocytes and human cancer cell lines. Toxicol Lett. 2013 Jul 31;221(1):1-8.
3 Pelargonidin activates the AhR and induces CYP1A1 in primary human hepatocytes and human cancer cell lines HepG2 and LS174T. Toxicol Lett. 2013 Apr 26;218(3):253-9.
4 Structure-activity relationship of human GLO I inhibitory natural flavonoids and their growth inhibitory effects. Bioorg Med Chem. 2008 Apr 1;16(7):3969-75.
5 DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
6 Role of hydrophobic interactions in binding S-(N-aryl/alkyl-N-hydroxycarbamoyl)glutathiones to the active site of the antitumor target enzyme glyoxalase I. J Med Chem. 2000 Oct 19;43(21):3981-6.
7 In vitro inhibition of CYP1A2 by model inhibitors, anti-inflammatory analgesics and female sex steroids: predictability of in vivo interactions. Basic Clin Pharmacol Toxicol. 2008 Aug;103(2):157-65.
8 Effects of capsaicin and dihydrocapsaicin on human and rat liver microsomal CYP450 enzyme activities in vitro and in vivo. J Asian Nat Prod Res. 2012;14(4):382-95.
9 Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects. Toxicol Lett. 2018 Sep 15;294:27-36.
10 Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
11 Inhibition of human cytochrome P450 enzymes by 1,4-dihydropyridine calcium antagonists: prediction of in vivo drug-drug interactions. Eur J Clin Pharmacol. 2000 Feb-Mar;55(11-12):843-52.
12 Mechanism-based inhibition of human liver microsomal cytochrome P450 1A2 by zileuton, a 5-lipoxygenase inhibitor. Drug Metab Dispos. 2003 Nov;31(11):1352-60.
13 Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors. J Med Chem. 2005 Jun 2;48(11):3808-15.
14 ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
15 Cytochrome P450 1A1/2 induction by antiparasitic drugs: dose-dependent increase in ethoxyresorufin O-deethylase activity and mRNA caused by quinine, primaquine and albendazole in HepG2 cells. Eur J Clin Pharmacol. 2002 Nov;58(8):537-42.
16 Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury. J Toxicol Sci. 2021;46(4):167-176. doi: 10.2131/jts.46.167.
17 Anti-androgenic effect of 6-formylindolo[3,2-b]carbazole (FICZ) in LNCaP cells is mediated by the aryl hydrocarbon-androgen receptors cross-talk. Steroids. 2020 Jan;153:108508. doi: 10.1016/j.steroids.2019.108508. Epub 2019 Oct 3.
18 Pharmacologic profiling of human and rat cytochrome P450 1A1 and 1A2 induction and competition. Arch Toxicol. 2008 Dec;82(12):909-21.
19 Effect of CYP1A1 gene polymorphisms on estrogen metabolism and bone density. J Bone Miner Res. 2005 Feb;20(2):232-9. doi: 10.1359/JBMR.041110. Epub 2004 Nov 16.
20 Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
21 Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.
22 Gene expression changes in human small airway epithelial cells exposed to Delta9-tetrahydrocannabinol. Toxicol Lett. 2005 Aug 14;158(2):95-107.
23 The metallohormone cadmium modulates AhR-associated gene expression in the small intestine of rats similar to ethinyl-estradiol. Arch Toxicol. 2013 Apr;87(4):633-43.
24 Evidence for a new human CYP1A1 regulation pathway involving PPAR-alpha and 2 PPRE sites. Gastroenterology. 2004 Nov;127(5):1436-45.
25 Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
26 Oxidative stress modulates expression of immune checkpoint genes via activation of AhR signaling. Toxicol Appl Pharmacol. 2022 Dec 15;457:116314. doi: 10.1016/j.taap.2022.116314. Epub 2022 Nov 9.
27 Profiling of enantiopure drugs towards aryl hydrocarbon (AhR), glucocorticoid (GR) and pregnane X (PXR) receptors in human reporter cell lines. Chem Biol Interact. 2014 Feb 5;208:64-76. doi: 10.1016/j.cbi.2013.11.018. Epub 2013 Dec 6.
28 Involvement of cytoskeleton in AhR-dependent CYP1A1 expression. Curr Drug Metab. 2006 Apr;7(3):301-13. doi: 10.2174/138920006776359310.
29 Sulindac and its metabolites induce carcinogen metabolizing enzymes in human colon cancer cells. Int J Cancer. 2008 Mar 1;122(5):990-8.
30 Quercetin, quercetin glycosides and taxifolin differ in their ability to induce AhR activation and CYP1A1 expression in HepG2 cells. Phytother Res. 2012 Nov;26(11):1746-52.
31 Omeprazole inhibits pancreatic cancer cell invasion through a nongenomic aryl hydrocarbon receptor pathway. Chem Res Toxicol. 2015 May 18;28(5):907-18.
32 Phenotypic characterization of retinoic acid differentiated SH-SY5Y cells by transcriptional profiling. PLoS One. 2013 May 28;8(5):e63862.
33 Expression and inducibility of cytochrome P450s (CYP1A1, 2B6, 2E1, 3A4) in human cord blood CD34(+) stem cell-derived differentiating neuronal cells. Toxicol Sci. 2012 Oct;129(2):392-410.
34 Induction of paraoxonase 1 and apolipoprotein A-I gene expression by aspirin. J Lipid Res. 2008 Oct;49(10):2142-8.