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

General Information of Drug (ID: DMSQRXW)

• Drug Name: SQ-32709 Drug Info
• Synonyms: farnesyl diphosphate; farnesyl pyrophosphate; (2E,6E)-Farnesyl diphosphate; trans,trans-Farnesyl diphosphate; all-trans-Farnesyl pyrophosphate; (all-E)-Farnesyl diphosphate; (E,E)-Farnesyl pyrophosphate; (2E,6E)-Farnesyl pyrophosphate; trans-Farnesyl pyrophosphate; 2-trans,6-trans-Farnesyl pyrophosphate; farnesyl-PP; (E,E)-Farnesyl diphosphate; 2-trans,6-trans-farnesyl diphosphate; trans-trans-farnesyl diphosphate; UNII-79W6B01D07; CHEBI:17407; trans,trans-Farnesyl pyrophosphate; Sq 32709; 13058-04-3; CHEMBL69330

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 445713
  ChEBI ID: CHEBI:17407
  CAS Number: CAS 372-97-4
  TTD Drug ID: DMSQRXW
  INTEDE Drug ID: DR1927

Molecule-Related Drug Atlas

Drug(s) Targeting Squalene synthetase (FDFT1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lapaquistat acetate	DMJY9CW	Hyperlipidaemia	5C80	Discontinued in Phase 3	[6]
BMS-187745	DMP8SIV	Hyperlipidaemia	5C80	Discontinued in Phase 2	[7]
Squalestatin 1	DM4JZPT	Arteriosclerosis	BD40	Terminated	[8]
A-87049	DMUID46	N. A.	N. A.	Terminated	[9]
RPR-101821	DM21Y75	Arteriosclerosis	BD40	Terminated	[10]
SQ-34919	DMT7O9V	N. A.	N. A.	Terminated	[11]
L-735021	DM8BVJQ	Discovery agent	N.A.	Investigative	[12]
PMID19191557C32	DMH8QRI	Discovery agent	N.A.	Investigative	[7]
PMID9871507C14	DMY28QM	Discovery agent	N.A.	Investigative	[13]
PMID19456099C13	DMBU9E4	Discovery agent	N.A.	Investigative	[14]

Drug(s) Affected By Mevalonate kinase (MVK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[15]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[16]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[17]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[18]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[19]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[20]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[21]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[22]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[23]
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[24]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Squalene synthetase (FDFT1)	TTFQEO5	FDFT_HUMAN	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Ras proteins prenyltransferase alpha (FNTA)	DEFNVD7	FNTA_HUMAN	Substrate	[3]
Squalene synthase (FDFT1)	DEIDTHQ	FDFT_HUMAN	Substrate	[4]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Mevalonate kinase (MVK)	OTHJCUKT	KIME_HUMAN	Gene/Protein Processing	[5]

References

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• [10] RPR 101821, a new potent cholesterol-lowering agent: inhibition of squalene synthase and 7-dehydrocholesterol reductase. Naunyn Schmiedebergs Arch Pharmacol. 1996 Jan;353(2):233-40.
• [11] Inhibition of farnesyl protein transferase by new farnesyl phosphonate derivatives of phenylalanine, Bioorg. Med. Chem. Lett. 6(12):1291-1296 (1996).
• [12] Structure-activity relationships of C1 and C6 side chains of zaragozic acid A derivatives. J Med Chem. 1994 Nov 11;37(23):4031-51.
• [13] Cyclopentanedi- and tricarboxylic acids as squalene synthase inhibitors: syntheses and evaluation. Bioorg Med Chem Lett. 1998 Apr 21;8(8):891-6.
• [14] Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. J Med Chem. 2009 Jul 9;52(13):3869-80.
• [15] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [16] Molecular mechanisms of hepatotoxic cholestasis by clavulanic acid: Role of NRF2 and FXR pathways. Food Chem Toxicol. 2021 Dec;158:112664. doi: 10.1016/j.fct.2021.112664. Epub 2021 Nov 9.
• [17] Screening autism-associated environmental factors in differentiating human neural progenitors with fractional factorial design-based transcriptomics. Sci Rep. 2023 Jun 29;13(1):10519. doi: 10.1038/s41598-023-37488-0.
• [18] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [19] Transcriptomic analysis of untreated and drug-treated differentiated HepaRG cells over a 2-week period. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):27-35.
• [20] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [21] Temporal changes in gene expression in the skin of patients treated with isotretinoin provide insight into its mechanism of action. Dermatoendocrinol. 2009 May;1(3):177-87.
• [22] 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.
• [23] The proapoptotic effect of zoledronic acid is independent of either the bone microenvironment or the intrinsic resistance to bortezomib of myeloma cells and is enhanced by the combination with arsenic trioxide. Exp Hematol. 2011 Jan;39(1):55-65.
• [24] Identification of mechanisms of action of bisphenol a-induced human preadipocyte differentiation by transcriptional profiling. Obesity (Silver Spring). 2014 Nov;22(11):2333-43.