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

General Information of Drug (ID: DMV0RFU)

• Drug Name: CKI-7 Drug Info
• Synonyms: 120615-25-0; N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulfonamide; CKI 7; N-(2-Aminoethyl)-5-chloroisoquinoline-8-sulphonamide; CKI-7 (free base); UNII-3IE84W82O5; CHEBI:47322; 3IE84W82O5; 8-Isoquinolinesulfonamide,N-(2-aminoethyl)-5-chloro-; 8-Isoquinolinesulfonamide, N-(2-aminoethyl)-5-chloro-; 2csn; CKI; ACMC-20efrf; CHEMBL489157; Isoquinolinesulfonamide, CKI-7; SCHEMBL3491587; BDBM92674; DTXSID20152934; ZINC6415144; MFCD00269886; AKOS027446743; DB03693; NCGC00165762-01; DB-082055; HY-133028; B4936; CS-0109499; FT-0661792; Y7241; W-205095; N-(2-aminoethyl)-5-chloro-isoquinoline-8-sulfonamide; Q27094604; 5-Chloro-isoquinoline-8-sulfonic acid, (2-amino-ethyl)-amide

Indication

Disease Entry	ICD 11	Status	REF
Mood disorder	6A60-6E23	Preclinical	[1]

• Cross-matching ID:
  PubChem CID: 129236
  ChEBI ID: CHEBI:47322
  CAS Number: CAS 120615-25-0
  TTD Drug ID: DMV0RFU

Molecule-Related Drug Atlas

Drug(s) Targeting Casein kinase 1 (CK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LH846	DMJXZIS	Mood disorder	6A60-6E23	Preclinical	[4]

Drug(s) Affected By Tumor necrosis factor receptor superfamily member 10A (TNFRSF10A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[5]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[6]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[7]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[8]
Vismodegib	DM5IXKQ	Basal cell carcinoma	2C32	Approved	[9]
Bupropion	DM5PCS7	Depression	6A70-6A7Z	Approved	[10]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[11]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[12]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[13]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[14]

Drug(s) Affected By Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[15]
Gemcitabine	DMSE3I7	Anterior urethra cancer		Approved	[16]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[17]
Bepridil	DM0RKS4	Chronic/stable angina	BA40.1	Approved	[18]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[19]
Selenium	DM25CGV	N. A.	N. A.	Approved	[20]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[15]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[21]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[22]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[21]

Drug(s) Affected By Casein kinase I isoform alpha (CSNK1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[23]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[24]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[25]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[14]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[26]
Demecolcine	DMCZQGK	Solid tumour/cancer	2A00-2F9Z	Approved	[27]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[28]
Cupric Sulfate	DMP0NFQ	Fungal infection	1F29-1F2F	Approved	[29]
Piroxicam	DMTK234	Osteoarthritis	FA00-FA05	Approved	[30]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[31]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Casein kinase 1 (CK1)	TT7OGZP	KC1A_HUMAN; KC1D_HUMAN; KC1E_HUMAN; KC1G1_HUMAN; KC1G2_HUMAN; KC1G3_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Casein kinase I isoform alpha (CSNK1A1)	OTJ6O1IC	KC1A_HUMAN	Gene/Protein Processing	[3]
Tumor necrosis factor receptor superfamily member 10A (TNFRSF10A)	OTBPCU2O	TR10A_HUMAN	Gene/Protein Processing	[3]
Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B)	OTA1CPBV	TR10B_HUMAN	Gene/Protein Processing	[3]

References

• [1] Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307.
• [2] Crystal structures of two aminoglycoside kinases bound with a eukaryotic protein kinase inhibitor. PLoS One. 2011 May 9;6(5):e19589.
• [3] Casein kinase I attenuates tumor necrosis factor-related apoptosis-inducing ligand-induced apoptosis by regulating the recruitment of fas-associated death domain and procaspase-8 to the death-inducing signaling complex. Cancer Res. 2004 Nov 1;64(21):8036-44. doi: 10.1158/0008-5472.CAN-04-0762.
• [4] A small molecule modulates circadian rhythms through phosphorylation of the period protein. Angew Chem Int Ed Engl. 2011 Nov 4;50(45):10608-11.
• [5] Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
• [6] 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.
• [7] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [8] Transforming growth factor-beta1 inhibits all-trans retinoic acid-induced apoptosis. Leuk Res. 2006 May;30(5):607-23. doi: 10.1016/j.leukres.2005.09.007. Epub 2005 Oct 19.
• [9] Hedgehog signaling antagonist GDC-0449 (Vismodegib) inhibits pancreatic cancer stem cell characteristics: molecular mechanisms. PLoS One. 2011;6(11):e27306. doi: 10.1371/journal.pone.0027306. Epub 2011 Nov 8.
• [10] Bupropion, an atypical antidepressant, induces endoplasmic reticulum stress and caspase-dependent cytotoxicity in SH-SY5Y cells. Toxicology. 2011 Jul 11;285(1-2):1-7. doi: 10.1016/j.tox.2011.02.006. Epub 2011 Feb 24.
• [11] Effects of arsenic trioxide alone and in combination with bortezomib in multiple myeloma RPMI 8266 cells. Asian Pac J Cancer Prev. 2013;14(11):6469-73. doi: 10.7314/apjcp.2013.14.11.6469.
• [12] Stimulation of erythropoiesis by thalidomide in multiple myeloma patients: its influence on FasL, TRAIL and their receptors on erythroblasts. Haematologica. 2006 Mar;91(3):386-9.
• [13] Ouabain induces apoptotic cell death in human prostate DU 145 cancer cells through DNA damage and TRAIL pathways. Environ Toxicol. 2019 Dec;34(12):1329-1339. doi: 10.1002/tox.22834. Epub 2019 Aug 21.
• [14] 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.
• [15] Utilization of CDKN1A/p21 gene for class discrimination of DNA damage-induced clastogenicity. Toxicology. 2014 Jan 6;315:8-16. doi: 10.1016/j.tox.2013.10.009. Epub 2013 Nov 6.
• [16] Regulation of DR-5 protein and mitochondrial transmembrane potential by gemcitabine, a possible mechanism of gemcitabine-enhanced TRAIL-induced apoptosis. Oncol Rep. 2007 Sep;18(3):523-9.
• [17] 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.
• [18] Amiodarone sensitizes human glioma cells but not astrocytes to TRAIL-induced apoptosis via CHOP-mediated DR5 upregulation. Neuro Oncol. 2011 Mar;13(3):267-79. doi: 10.1093/neuonc/noq195. Epub 2011 Feb 3.
• [19] Novel functional view of the crocidolite asbestos-treated A549 human lung epithelial transcriptome reveals an intricate network of pathways with opposing functions. BMC Genomics. 2008 Aug 7;9:376.
• [20] Death receptor 5 regulation during selenium-mediated apoptosis in human prostate cancer cells. Cancer Biol Ther. 2002 May-Jun;1(3):287-90. doi: 10.4161/cbt.83.
• [21] Death receptor regulation and celecoxib-induced apoptosis in human lung cancer cells. J Natl Cancer Inst. 2004 Dec 1;96(23):1769-80. doi: 10.1093/jnci/djh322.
• [22] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [23] 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.
• [24] Delta9-tetrahydrocannabinol inhibits cytotrophoblast cell proliferation and modulates gene transcription. Mol Hum Reprod. 2006 May;12(5):321-33. doi: 10.1093/molehr/gal036. Epub 2006 Apr 5.
• [25] Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
• [26] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [27] Characterization of formaldehyde's genotoxic mode of action by gene expression analysis in TK6 cells. Arch Toxicol. 2013 Nov;87(11):1999-2012.
• [28] 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.
• [29] Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
• [30] Apoptosis induced by piroxicam plus cisplatin combined treatment is triggered by p21 in mesothelioma. PLoS One. 2011;6(8):e23569.
• [31] Bringing in vitro analysis closer to in vivo: studying doxorubicin toxicity and associated mechanisms in 3D human microtissues with PBPK-based dose modelling. Toxicol Lett. 2018 Sep 15;294:184-192.