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

General Information of Drug (ID: DMYWRL6)

• Drug Name: Purpurin Drug Info
• Synonyms: PURPURIN; 81-54-9; 1,2,4-Trihydroxyanthraquinone; Purpurine; Verantin; Hydroxylizaric acid; Smoke Brown G; 1,2,4-trihydroxyanthracene-9,10-dione; 1,2,4-Trihydroxy-9,10-anthracenedione; 1,2,4-Trihydroxy-9,10-anthraquinone; 1,2,4-Trihydroxyanthrachinon; C.I. 58205; 9,10-Anthracenedione, 1,2,4-trihydroxy-; 1,2,4-Trihydroxyanthra-9,10-quinone; UNII-L1GT81LS6N; Anthraquinone, 1,2,4-trihydroxy-; C.I. 75410; CHEBI:8645; CCRIS 3527; C.I. 1037; EINECS 201-359-8; NSC 10447; 1,2,4-Trihydroxyanthrachinon [Czech]; BRN 1887127; L1GT81LS6N

Indication

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

• Cross-matching ID:
  PubChem CID: 6683
  ChEBI ID: CHEMBL294264
  CAS Number: CAS 81-54-9
  TTD Drug ID: DMYWRL6

Molecule-Related Drug Atlas

Drug(s) Targeting Human immunodeficiency virus Integrase (HIV IN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dolutegravir	DMCZGRE	Human immunodeficiency virus infection	1C62	Approved	[4]
Raltegravir	DMYURI6	Human immunodeficiency virus infection	1C62	Approved	[5]
Elvitegravir	DMG9B1U	Human immunodeficiency virus infection	1C62	Approved	[4]
Bictegravir, emtricitabine and tenofovir alafenamide	DMG0H8K	Human immunodeficiency virus infection	1C62	Approved	[6]
GSK1265744	DMT8J0I	Human immunodeficiency virus infection	1C62	Phase 3	[7]
S-1360	DM9KTSG	Human immunodeficiency virus infection	1C62	Phase 2	[8]
S-364735	DMU7ZMH	Human immunodeficiency virus infection	1C62	Phase 2	[9]
C-2507	DMOFT1V	Human immunodeficiency virus infection	1C62	Phase 1	[10]
Acriflavine	DMKVE8X	Human immunodeficiency virus infection	1C62	Phase 1	[11]
S-265744 LAP	DMDQRWT	Human immunodeficiency virus infection	1C62	Phase 1	[12]

Drug(s) Affected By Cytochrome P450 2C19 (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[14]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[15]
Chloramphenicol	DMFXEWT	Bacterial infection	1A00-1C4Z	Approved	[16]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[17]
Pentamidine	DMHZJCG	African trypanosomiasis	1F51	Approved	[18]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[19]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[18]
Desipramine	DMT2FDC	Attention deficit hyperactivity disorder	6A05.Z	Approved	[14]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[20]

Drug(s) Affected By Phospholysine phosphohistidine inorganic pyrophosphate phosphatase (LHPP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[21]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[22]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[23]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[24]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[25]
Niclosamide	DMJAGXQ	Cestodes infection	1F70-1F76	Approved	[26]
Diethylstilbestrol	DMN3UXQ	Gonorrheal vaginitis	GA02	Approved	[27]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[28]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[29]
Epirubicin	DMPDW6T	Solid tumour/cancer	2A00-2F9Z	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Integrase (HIV IN)	TT5FH9Y	POL_HV1B1	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2C19 (CYP2C19)	OTFMJYYE	CP2CJ_HUMAN	Gene/Protein Processing	[2]
Phospholysine phosphohistidine inorganic pyrophosphate phosphatase (LHPP)	OT9AGAIJ	LHPP_HUMAN	Gene/Protein Processing	[3]

References

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• [3] Purpurin binding interacts with LHPP protein that inhibits PI3K/AKT phosphorylation and induces apoptosis in colon cancer cells HCT-116. J Biochem Mol Toxicol. 2021 Mar;35(3):e22665. doi: 10.1002/jbt.22665. Epub 2020 Dec 28.
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• [12] Long-acting shot prevents infection with HIV analogue. Nature. doi:10.1038/nature.2014.14819. 04 March 2014
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• [16] Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class. Toxicol Lett. 2016 Jan 22;241:82-94.
• [17] 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.
• [18] Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
• [19] Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
• [20] 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.
• [21] 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.
• [22] Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
• [23] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
• [24] Gene Expression Regulation and Pathway Analysis After Valproic Acid and Carbamazepine Exposure in a Human Embryonic Stem Cell-Based Neurodevelopmental Toxicity Assay. Toxicol Sci. 2015 Aug;146(2):311-20. doi: 10.1093/toxsci/kfv094. Epub 2015 May 15.
• [25] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
• [26] Mitochondrial Uncoupling Induces Epigenome Remodeling and Promotes Differentiation in Neuroblastoma. Cancer Res. 2023 Jan 18;83(2):181-194. doi: 10.1158/0008-5472.CAN-22-1029.
• [27] Identification of biomarkers and outcomes of endocrine disruption in human ovarian cortex using In Vitro Models. Toxicology. 2023 Feb;485:153425. doi: 10.1016/j.tox.2023.153425. Epub 2023 Jan 5.
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• [30] Genome-wide association study of chemotherapeutic agent-induced severe neutropenia/leucopenia for patients in Biobank Japan. Cancer Sci. 2013 Aug;104(8):1074-82. doi: 10.1111/cas.12186. Epub 2013 Jun 10.