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

General Information of Drug (ID: DMR8HKC)

• Drug Name: Chebulinic acid Drug Info
• Synonyms: Chebulinic acid; 18942-26-2; UNII-HVC8VQJ6EK; HVC8VQJ6EK; AC1L2HS1; CHEMBL501154; NSC69862; NSC 69862; CHEBI:3584; ZINC195763592; FT-0697896; C10215; Q-100932; beta-D-Glucopyranose, cyclic 2,4-ester with 3-(6-carboxy-2,3,4-trihydroxyphenyl)-4-hydroxy-1,2,4-butanetricarboxylic acid, 1,3,6-tris(3,4,5-trihydroxybenzoate)

Indication

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

• Cross-matching ID:
  PubChem CID: 72284
  ChEBI ID: CHEMBL3584
  TTD Drug ID: DMR8HKC

Molecule-Related Drug Atlas

Drug(s) Targeting Squalene monooxygenase (SQLE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Naftifine	DMHVBG1	Dermatomycosis	EA60	Approved	[3]
Tolnaftate	DM28MU7	Dermatophytosis	1F28.2	Approved	[4]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[1]
FR-194738	DMNACIV	Hypercholesterolaemia	5C80.0	Terminated	[5]
SDZ-87-469	DMBY6CQ	Coronary artery disease	BA80	Terminated	[4]
NB-598	DMJVTQN	N. A.	N. A.	Terminated	[6]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[1]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose	DMTK650	Discovery agent	N.A.	Investigative	[1]
Pedunculagin	DMKLRCX	Discovery agent	N.A.	Investigative	[1]
CORILAGIN	DMAC698	Discovery agent	N.A.	Investigative	[1]

Drug(s) Affected By Erythroid transcription factor (GATA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[7]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[9]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[10]
Aclarubicin	DMLFZHD	Acute myeloid leukaemia	2A60	Approved	[11]
Pomalidomide	DMTGBAX	Plasma cell myeloma	2A83.1	Approved	[12]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[13]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[14]
phorbol 12-myristate 13-acetate	DMJWD62	Acute myeloid leukaemia	2A60	Phase 2	[15]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[16]

Drug(s) Affected By Endothelial transcription factor GATA-2 (GATA2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[20]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[9]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[21]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[22]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[23]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[24]

Drug(s) Affected By Transcription factor NF-E2 45 kDa subunit (NFE2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[25]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[7]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[26]
Aclarubicin	DMLFZHD	Acute myeloid leukaemia	2A60	Approved	[11]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[23]
Decitabine	DMQL8XJ	Acute myelogenous leukaemia	2A41	Approved	[27]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[27]
Pomalidomide	DMTGBAX	Plasma cell myeloma	2A83.1	Approved	[12]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Squalene monooxygenase (SQLE)	TTE14XG	ERG1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Endothelial transcription factor GATA-2 (GATA2)	OTBP2QQ2	GATA2_HUMAN	Gene/Protein Processing	[2]
Erythroid transcription factor (GATA1)	OTX1R7O1	GATA1_HUMAN	Gene/Protein Processing	[2]
Transcription factor NF-E2 45 kDa subunit (NFE2)	OTLM94BI	NFE2_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Effects of chebulinic acid on differentiation of human leukemia K562 cells. Acta Pharmacol Sin. 2004 Feb;25(2):231-8.
• [3] Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.
• [4] Effects of squalene epoxidase inhibitors on Candida albicans. Antimicrob Agents Chemother. 1992 Aug;36(8):1779-81.
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• [12] Immunomodulatory derivative of thalidomide (IMiD CC-4047) induces a shift in lineage commitment by suppressing erythropoiesis and promoting myelopoiesis. Blood. 2005 May 15;105(10):3833-40. doi: 10.1182/blood-2004-03-0828. Epub 2004 Aug 3.
• [13] Accumulation of gamma-globin mRNA and induction of irreversible erythroid differentiation after treatment of CML cell line K562 with new doxorubicin derivatives. Biochem Pharmacol. 2007 Jan 15;73(2):175-84. doi: 10.1016/j.bcp.2006.09.028. Epub 2006 Oct 4.
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• [16] The BET bromodomain inhibitor JQ1 suppresses growth of pancreatic ductal adenocarcinoma in patient-derived xenograft models. Oncogene. 2016 Feb 18;35(7):833-45.
• [17] Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
• [18] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [19] Differential modulation of PI3-kinase/Akt pathway during all-trans retinoic acid- and Am80-induced HL-60 cell differentiation revealed by DNA microarray analysis. Biochem Pharmacol. 2004 Dec 1;68(11):2177-86.
• [20] 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.
• [21] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [22] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [23] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [24] 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.
• [25] 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.
• [26] Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
• [27] Acute hypersensitivity of pluripotent testicular cancer-derived embryonal carcinoma to low-dose 5-aza deoxycytidine is associated with global DNA Damage-associated p53 activation, anti-pluripotency and DNA demethylation. PLoS One. 2012;7(12):e53003. doi: 10.1371/journal.pone.0053003. Epub 2012 Dec 27.
• [28] Identification of novel low-dose bisphenol a targets in human foreskin fibroblast cells derived from hypospadias patients. PLoS One. 2012;7(5):e36711. doi: 10.1371/journal.pone.0036711. Epub 2012 May 4.