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

General Information of Drug (ID: DM3786U)

• Drug Name: F-12509A Drug Info

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 9862964
  TTD Drug ID: DM3786U

Molecule-Related Drug Atlas

Drug(s) Targeting Sphingosine kinase 1 (SPHK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Phenoxodiol	DMBUJVX	Ovarian cancer	2C73	Phase 1/2	[3]
GSK618334	DMJPXZ4	Drug abuse	6C4G.1Z	Phase 1	[4]
PMID27539678-Compound-6	DMBKNDE	N. A.	N. A.	Patented	[5]
Methylbenzenesulfonamide derivative 1	DMUNME2	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-12	DMNIKTA	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-10	DM61SR0	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-16	DMMDJH8	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-14	DMZ02LA	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-13	DM1J2V8	N. A.	N. A.	Patented	[5]
PMID27539678-Compound-11	DMIKAJC	N. A.	N. A.	Patented	[5]

Drug(s) Affected By Cytochrome c (CYCS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[6]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[7]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[8]
Leuprorelin acetate	DM15HAT	Prostate cancer	2C82.0	Approved	[9]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[10]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[11]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[12]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[13]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[14]
Pefloxacin	DM49IGF	Gonococcal urethritis	1A70.0Y	Approved	[15]

Drug(s) Affected By Diablo IAP-binding mitochondrial protein (DIABLO)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[16]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[18]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[21]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[22]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[23]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[24]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[25]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine kinase 1 (SPHK1)	TTOHFIY	SPHK1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome c (CYCS)	OTBFALJD	CYC_HUMAN	Protein Interaction/Cellular Processes	[2]
Diablo IAP-binding mitochondrial protein (DIABLO)	OTHJ9MCZ	DBLOH_HUMAN	Protein Interaction/Cellular Processes	[2]
E3 ubiquitin-protein ligase XIAP	OT24GP9B	XIAP_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Overcoming MDR-associated chemoresistance in HL-60 acute myeloid leukemia cells by targeting sphingosine kinase-1. Leukemia. 2006 Jan;20(1):95-102. doi: 10.1038/sj.leu.2404023.
• [3] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [4] Sphingosine kinase 1 is a potential therapeutic target for nasopharyngeal carcinoma.Oncotarget. 2016 Dec 6;7(49):80586-80598.
• [5] Sphingosine kinase inhibitors: a review of patent literature (2006-2015).Expert Opin Ther Pat. 2016 Dec;26(12):1409-1416.
• [6] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
• [7] Regulation of ERRalpha gene expression by estrogen receptor agonists and antagonists in SKBR3 breast cancer cells: differential molecular mechanisms mediated by g protein-coupled receptor GPR30/GPER-1. Mol Endocrinol. 2010 May;24(5):969-80. doi: 10.1210/me.2009-0148. Epub 2010 Mar 8.
• [8] Evidence of securin-mediated resistance to gefitinib-induced apoptosis in human cancer cells. Chem Biol Interact. 2013 Apr 25;203(2):412-22. doi: 10.1016/j.cbi.2013.03.011. Epub 2013 Mar 22.
• [9] Effects of gonadotrophin-releasing hormone agonists on apoptosis of granulosa cells. Ann N Y Acad Sci. 2005 May;1042:531-7. doi: 10.1196/annals.1338.065.
• [10] K-RAS transformation in prostate epithelial cell overcomes H2O2-induced apoptosis via upregulation of gamma-glutamyltransferase-2. Toxicol In Vitro. 2012 Apr;26(3):429-34. doi: 10.1016/j.tiv.2012.01.013. Epub 2012 Jan 17.
• [11] Nitric oxide inhibits execution of apoptosis at two distinct ATP-dependent steps upstream and downstream of mitochondrial cytochrome c release. Biochem Biophys Res Commun. 1999 Apr 29;258(1):215-21. doi: 10.1006/bbrc.1999.0491.
• [12] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [13] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [14] Troglitazone induces cytotoxicity in part by promoting the degradation of peroxisome proliferator-activated receptor co-activator-1 protein. Br J Pharmacol. 2010 Oct;161(4):771-81. doi: 10.1111/j.1476-5381.2010.00900.x.
• [15] Under ambient UVA exposure, pefloxacin exhibits both immunomodulatory and genotoxic effects via multiple mechanisms. J Photochem Photobiol B. 2018 Jan;178:593-605. doi: 10.1016/j.jphotobiol.2017.12.014. Epub 2017 Dec 15.
• [16] Gingival Stromal Cells as an In Vitro Model: Cannabidiol Modulates Genes Linked With Amyotrophic Lateral Sclerosis. J Cell Biochem. 2017 Apr;118(4):819-828. doi: 10.1002/jcb.25757. Epub 2016 Nov 28.
• [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] Apoptotic signaling pathways induced by nitric oxide in human lymphoblastoid cells expressing wild-type or mutant p53. Cancer Res. 2004 May 1;64(9):3022-9. doi: 10.1158/0008-5472.can-03-1880.
• [19] Statin-triggered cell death in primary human lung mesenchymal cells involves p53-PUMA and release of Smac and Omi but not cytochrome c. Biochim Biophys Acta. 2010 Apr;1803(4):452-67. doi: 10.1016/j.bbamcr.2009.12.005. Epub 2010 Jan 4.
• [20] Multifaceted preventive effects of single agent quercetin on a human prostate adenocarcinoma cell line (PC-3): implications for nutritional transcriptomics and multi-target therapy. Med Oncol. 2011 Dec;28(4):1395-404. doi: 10.1007/s12032-010-9603-3. Epub 2010 Jul 2.
• [21] Combination of all-trans retinoic acid and taxol regressed glioblastoma T98G xenografts in nude mice. Apoptosis. 2007 Nov;12(11):2077-87. doi: 10.1007/s10495-007-0116-2. Epub 2007 Aug 16.
• [22] Role of mitochondria in aspirin-induced apoptosis in human gastric epithelial cells. Am J Physiol Gastrointest Liver Physiol. 2005 Oct;289(4):G731-8. doi: 10.1152/ajpgi.00150.2005. Epub 2005 Jun 23.
• [23] THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
• [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.