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

General Information of Drug (ID: DM5EKPM)

• Drug Name: B-581 Drug Info
• Synonyms: 149759-96-6; B581; FTase Inhibitor I; B 581; B-581; CHEMBL91722; CHEBI:83620; N-[2(S)-(2(R)-2-Amino-3-mercaptopropylamino)-3-methylbutyl]-L-phenylalanyl-L-methionine trifluoroacetate salt; (S)-2-((S)-2-((S)-2-((R)-2-amino-3-mercaptopropylamino)-3-methylbutylamino)-3-phenylpropanamido)-4-(methylthio)butanoic acid; CBiol_001875; H-Cys-psi(CH2NH)Val-psi(CH2NH)Phe-Met-OH; AC1L31RF; BSPBio_001466; KBioSS_000186; KBioGR_000186; SCHEMBL2723960; KBio3_000372; KBio2_005322; KBio2_000186; KBio3_000371; KBio2_002754; CTK8E9094

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[1]

• Cross-matching ID:
  PubChem CID: 132887
  ChEBI ID: CHEBI:83620
  CAS Number: CAS 149759-96-6
  TTD Drug ID: DM5EKPM

Molecule-Related Drug Atlas

Drug(s) Affected By Nuclear factor NF-kappa-B p105 subunit (NFKB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dexamethasone	DMMWZET	Acute adrenal insufficiency		Approved	[3]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[4]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[5]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[6]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[7]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[8]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[9]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[10]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[11]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[12]

Drug(s) Affected By NF-kappa-B inhibitor alpha (NFKBIA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fructose	DM43AN2	Vomiting	MD90	Approved	[13]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[14]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[16]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[18]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[19]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[20]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[21]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[22]

Drug(s) Affected By Transcription factor p65 (RELA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[23]
Selenium	DM25CGV	N. A.	N. A.	Approved	[24]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[25]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[11]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[21]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[22]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[26]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[27]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[28]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein prenyl transferase (PPTF)	TTV8ETH	NOUNIPROTAC	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
NF-kappa-B inhibitor alpha (NFKBIA)	OTFT924M	IKBA_HUMAN	Post-Translational Modifications	[2]
Nuclear factor NF-kappa-B p105 subunit (NFKB1)	OTNRRD8I	NFKB1_HUMAN	Gene/Protein Processing	[2]
Transcription factor p65 (RELA)	OTUJP9CN	TF65_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Constitutive activation of NF-kappaB in Ki-ras-transformed prostate epithelial cells. Oncogene. 2002 Jul 4;21(29):4490-7. doi: 10.1038/sj.onc.1205547.
• [3] Dexamethasone and the inflammatory response in explants of human omental adipose tissue. Mol Cell Endocrinol. 2010 Feb 5;315(1-2):292-8.
• [4] DNA array analysis of the effects of aspirin on colon cancer cells: involvement of Rac1. Carcinogenesis. 2004 Jul;25(7):1293-8.
• [5] Sertraline induces endoplasmic reticulum stress in hepatic cells. Toxicology. 2014 Aug 1;322:78-88. doi: 10.1016/j.tox.2014.05.007. Epub 2014 May 24.
• [6] Identification of genes linked to gefitinib treatment in prostate cancer cell lines with or without resistance to androgen: a clue to application of gefitinib to hormone-resistant prostate cancer. Oncol Rep. 2006 Jun;15(6):1453-60.
• [7] Microarray analysis of H2O2-, HNE-, or tBH-treated ARPE-19 cells. Free Radic Biol Med. 2002 Nov 15;33(10):1419-32.
• [8] The thioredoxin system mediates redox-induced cell death in human colon cancer cells: implications for the mechanism of action of anticancer agents. Cancer Res. 2008 Oct 15;68(20):8269-77. doi: 10.1158/0008-5472.CAN-08-2010.
• [9] Development of an alternative zebrafish model for drug-induced intestinal toxicity. J Appl Toxicol. 2018 Feb;38(2):259-273. doi: 10.1002/jat.3520. Epub 2017 Oct 13.
• [10] Response rate of fibrosarcoma cells to cytotoxic drugs on the expression level correlates to the therapeutic response rate of fibrosarcomas and is mediated by regulation of apoptotic pathways. BMC Cancer. 2005 Jul 7;5:74. doi: 10.1186/1471-2407-5-74.
• [11] Suppression of RAGE as a basis of simvastatin-dependent plaque stabilization in type 2 diabetes. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2716-23.
• [12] Quercetin potentiates apoptosis by inhibiting nuclear factor-kappaB signaling in H460 lung cancer cells. Biol Pharm Bull. 2013;36(6):944-51. doi: 10.1248/bpb.b12-01004.
• [13] 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.
• [14] Neurokinin-1 receptor (NK1R) inhibition sensitizes APL cells to anti-tumor effect of arsenic trioxide via restriction of NF-B axis: Shedding new light on resistance to Aprepitant. Int J Biochem Cell Biol. 2018 Oct;103:105-114. doi: 10.1016/j.biocel.2018.08.010. Epub 2018 Aug 23.
• [15] 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.
• [16] ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
• [17] Neuroprotective effects of glucomoringin-isothiocyanate against H(2)O(2)-Induced cytotoxicity in neuroblastoma (SH-SY5Y) cells. Neurotoxicology. 2019 Dec;75:89-104. doi: 10.1016/j.neuro.2019.09.008. Epub 2019 Sep 12.
• [18] Microtubules are required for NF-kappaB nuclear translocation in neuroblastoma IMR-32 cells: modulation by zinc. J Neurochem. 2006 Oct;99(2):402-15. doi: 10.1111/j.1471-4159.2006.04005.x.
• [19] Protein phosphatase 2A interacts with and directly dephosphorylates RelA. J Biol Chem. 2001 Dec 21;276(51):47828-33. doi: 10.1074/jbc.M106103200. Epub 2001 Oct 8.
• [20] Activation of nuclear factor-kappa B pathway by simvastatin and RhoA silencing increases doxorubicin cytotoxicity in human colon cancer HT29 cells. Mol Pharmacol. 2008 Aug;74(2):476-84.
• [21] Prevention of deoxycholate-induced gastric apoptosis by aspirin: roles of NF-kappaB and PKC signaling. J Surg Res. 2008 Mar;145(1):66-73. doi: 10.1016/j.jss.2007.04.039. Epub 2007 Jul 20.
• [22] 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.
• [23] -Carotene Induces Apoptosis in Human Esophageal Squamous Cell Carcinoma Cell Lines via the Cav-1/AKT/NF-B Signaling Pathway. J Biochem Mol Toxicol. 2016 Mar;30(3):148-57. doi: 10.1002/jbt.21773. Epub 2016 Jan 6.
• [24] 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.
• [25] Differential gene expression of sulindac-treated human breast epithelial cells. Int J Oncol. 2005 Dec;27(6):1727-36.
• [26] Peroxisome proliferator-activated receptor-gamma agonists inhibit respiratory syncytial virus-induced expression of intercellular adhesion molecule-1 in human lung epithelial cells. Immunology. 2007 May;121(1):71-81. doi: 10.1111/j.1365-2567.2006.02539.x.
• [27] 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.
• [28] Glucosamine regulation of LPS-mediated inflammation in human bronchial epithelial cells. Eur J Pharmacol. 2010 Jun 10;635(1-3):219-26. doi: 10.1016/j.ejphar.2010.02.044. Epub 2010 Mar 20.