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

General Information of Drug (ID: DM9G5XD)

Drug Name

IB-MECA Drug Info

Synonyms

IB-Meca; 152918-18-8; piclidenoson; CF-101; 3-IB-Meca; N(6)-Ibamu; CF 101; Cf101; N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine; UNII-30679UMI0N; N(6)-(3-Iodobenzyl)adenosine-5'-N-methyluronamide; 1-Deoxy-1-(6-(((3-iodophenyl)methyl)amino)-9H-purin-9-yl)-N-methyl-beta-D-ribofuranuronamide; CHEMBL119709; CHEBI:73286; 30679UMI0N; RPR-113090; 3-iodobenzyl-5'-N-methylcarboxamidoadenosine; N(6)-(3-iodo-benzyl)adenosine-5'-N-methyluronamide; 3-IB-MECA

Indication

Disease Entry	ICD 11	Status	REF
Psoriasis vulgaris	EA90	Phase 3	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 3	[2]
Plaque psoriasis	EA90.0	Phase 2/3	[3]
Rheumatoid arthritis	FA20	Phase 2	[1]

Cross-matching ID

PubChem CID: 123683
ChEBI ID: CHEBI:73286
CAS Number: CAS 152918-18-8
TTD Drug ID: DM9G5XD

Molecule-Related Drug Atlas

Molecule Type:

DTT

DOT

Drug Status:

Clinical Trial Drug(s)

Discontinued Drug(s)

Preclinical Drug(s)

Approved Drug(s)

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Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[6]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[7]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[8]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[9]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[10]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[11]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[12]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[8]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[8]
METHYLTHIOADENOSINE	DMC8J6F	Multiple sclerosis	8A40	Terminated	[13]
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Drug(s) Affected By Baculoviral IAP repeat-containing protein 1 (NAIP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[14]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[15]
Menthol	DMG2KW7	Back pain	ME84.Z	Approved	[16]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[17]
Bortezomib	DMNO38U	Leukemia		Approved	[18]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[19]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[20]
Fluorouracil	DMUM7HZ	Adenocarcinoma	2D40	Approved	[21]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[22]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[23]
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Drug(s) Affected By Baculoviral IAP repeat-containing protein 3 (BIRC3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[24]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[25]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[26]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[27]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[28]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[29]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[30]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[31]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[32]
Trovafloxacin	DM6AN32	Acute gonococcal cervicitis		Approved	[33]
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Drug(s) Affected By Baculoviral IAP repeat-containing protein 5 (BIRC5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[34]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[35]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[36]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[27]
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[37]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[38]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[39]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[40]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[41]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[42]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Agonist	[4]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Baculoviral IAP repeat-containing protein 1 (NAIP)	OTLA925F	BIRC1_HUMAN	Gene/Protein Processing	[5]
Baculoviral IAP repeat-containing protein 3 (BIRC3)	OT3E95KB	BIRC3_HUMAN	Gene/Protein Processing	[5]
Baculoviral IAP repeat-containing protein 5 (BIRC5)	OTILXZYL	BIRC5_HUMAN	Drug Response	[5]

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 422).
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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6	2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.
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10	Adenosine A1R/A3R (Adenosine A1 and A3 Receptor) Agonist AST-004 Reduces Brain Infarction in a Nonhuman Primate Model of Stroke. Stroke. 2022 Jan;53(1):238-248.
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16	Repurposing L-menthol for systems medicine and cancer therapeutics? L-menthol induces apoptosis through caspase 10 and by suppressing HSP90. OMICS. 2016 Jan;20(1):53-64.
17	Effect of zoledronic acid on oral fibroblasts and epithelial cells: a potential mechanism of bisphosphonate-associated osteonecrosis. Br J Haematol. 2009 Mar;144(5):667-76. doi: 10.1111/j.1365-2141.2008.07504.x. Epub 2008 Nov 20.
18	Bortezomib and Arsenic Trioxide Activity on a Myelodysplastic Cell Line (P39): A Gene Expression Study. Turk J Haematol. 2015 Sep;32(3):206-12. doi: 10.4274/tjh.2014.0058.
19	Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
20	Resistance to diverse apoptotic triggers in multidrug resistant HL60 cells and its possible relationship to the expression of P-glycoprotein, Fas and of the novel anti-apoptosis factors IAP (inhibitory of apoptosis proteins). Cancer Lett. 2002 Jun 6;180(1):91-101. doi: 10.1016/s0304-3835(01)00834-5.
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22	17-Estradiol Activates HSF1 via MAPK Signaling in ER-Positive Breast Cancer Cells. Cancers (Basel). 2019 Oct 11;11(10):1533. doi: 10.3390/cancers11101533.
23	Rapid induction of IAP family proteins and Smac/DIABLO expression after proapoptotic stimulation with doxorubicin in RPMI 8226 multiple myeloma cells. Exp Mol Pathol. 2007 Dec;83(3):405-12. doi: 10.1016/j.yexmp.2007.04.001. Epub 2007 Apr 18.
24	Resveratrol modifies the expression of apoptotic regulatory proteins and sensitizes non-Hodgkin's lymphoma and multiple myeloma cell lines to paclitaxel-induced apoptosis. Mol Cancer Ther. 2004 Jan;3(1):71-84.
25	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.
26	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.
27	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.
28	Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
29	Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
30	Phenotypic characterization of retinoic acid differentiated SH-SY5Y cells by transcriptional profiling. PLoS One. 2013 May 28;8(5):e63862.
31	Transcriptome-based functional classifiers for direct immunotoxicity. Arch Toxicol. 2014 Mar;88(3):673-89.
32	Arsenic trioxide induces apoptosis in NB-4, an acute promyelocytic leukemia cell line, through up-regulation of p73 via suppression of nuclear factor kappa B-mediated inhibition of p73 transcription and prevention of NF-kappaB-mediated induction of XIAP, cIAP2, BCL-XL and survivin. Med Oncol. 2010 Sep;27(3):833-42. doi: 10.1007/s12032-009-9294-9. Epub 2009 Sep 10.
33	The hepatotoxic fluoroquinolone trovafloxacin disturbs TNF- and LPS-induced p65 nuclear translocation in vivo and in vitro. Toxicol Appl Pharmacol. 2020 Mar 15;391:114915. doi: 10.1016/j.taap.2020.114915. Epub 2020 Feb 6.
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35	Leptomycin B reduces primary and acquired resistance of gefitinib in lung cancer cells. Toxicol Appl Pharmacol. 2017 Nov 15;335:16-27. doi: 10.1016/j.taap.2017.09.017. Epub 2017 Sep 21.
36	Assessment of the cytotoxic, genotoxic, and apoptotic potential of flurbiprofen in HeLa and HepG2 cell lines. J Biochem Mol Toxicol. 2021 Jun;35(6):1-11. doi: 10.1002/jbt.22770. Epub 2021 Mar 11.
37	Bexarotene activates the p53/p73 pathway in human cutaneous T-cell lymphoma. Br J Dermatol. 2009 Mar;160(3):519-26. doi: 10.1111/j.1365-2133.2008.08931.x. Epub 2008 Nov 25.
38	Expression profile analysis of colon cancer cells in response to sulindac or aspirin. Biochem Biophys Res Commun. 2002 Mar 29;292(2):498-512.
39	Apoptotic induction by simvastatin in human lung cancer A549 cells via Akt signaling dependent down-regulation of survivin. Invest New Drugs. 2011 Oct;29(5):945-52. doi: 10.1007/s10637-010-9450-2. Epub 2010 May 13.
40	Combining lapatinib (GW572016), a small molecule inhibitor of ErbB1 and ErbB2 tyrosine kinases, with therapeutic anti-ErbB2 antibodies enhances apoptosis of ErbB2-overexpressing breast cancer cells. Oncogene. 2005 Sep 15;24(41):6213-21. doi: 10.1038/sj.onc.1208774.
41	Quercetin inhibit human SW480 colon cancer growth in association with inhibition of cyclin D1 and survivin expression through Wnt/beta-catenin signaling pathway. Cancer Invest. 2009 Jul;27(6):604-12. doi: 10.1080/07357900802337191.
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