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

General Information of Drug (ID: DMOBYU3)

• Drug Name: KT 5823 Drug Info
• Synonyms: kt 5823; KT-5823; KT5823; UNII-WY40BAB02W; 126643-37-6; WY40BAB02W; 9-Methoxy-9-methoxycarbonyl-8-methyl-2,3,9,10-tetrahydro-8,11-epxoy-1H,8H,11H-2,7b-11a-triazadibenzo(a,g)cycloocta(cde)-trinden-1-one; 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-methoxy-2,9-dimethyl-1-oxo-, methyl ester, (9R-(9alpha,10beta,12alpha))-; C29H25N3O5; 9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid, 2,3,9,10

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 108152
  ChEBI ID: CHEBI:85102
  CAS Number: CAS 126643-37-6
  TTD Drug ID: DMOBYU3

Molecule-Related Drug Atlas

Drug(s) Targeting Muscarinic acetylcholine receptor (CHRM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetylcholine	DMDF79Z	Cataract	9B10	Approved	[4]
Tiotropium	DMFDC0Q	Chronic obstructive pulmonary disease	CA22	Approved	[5]
Darifenacin	DMWXLYZ	Overactive bladder	GC50.0	Approved	[6]
Methylscopolamine	DM5VWOB	Peptic ulcer	DA61	Approved	[7]
Clidinium	DMUMQZ0	Abdominal stomach pain	DD91.4	Approved	[8]
Oxybutynin hydrochloride	DMF2KLU	Urinary incontinence	MF50.2	Approved	[9]
Incruse Ellipta	DM32GSJ	Chronic obstructive pulmonary disease	CA22	Approved	[10]
Revefenacin	DMMP5SI	Chronic obstructive pulmonary disease	CA22	Approved	[11]
Scopolamine	DMOM8AL	Addictive disorder	6C50-6C5Z	Approved	[12]
Isopropamide iodide	DMQYV60	Allergic rhinitis	CA08.0	Approved	[13]

Drug(s) Affected By Glycogen synthase kinase-3 beta (GSK3B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[14]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[15]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Selenium	DM25CGV	N. A.	N. A.	Approved	[17]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[18]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[19]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[20]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[21]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[22]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[23]

Drug(s) Affected By MAP kinase-activated protein kinase 5 (MAPKAPK5)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[24]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[25]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[26]
Vinblastine	DM5TVS3	Advanced cancer	2A00-2F9Z	Approved	[27]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[27]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[3]
Genistein	DM0JETC	Menopause symptom	GA30.0	Phase 2/3	[28]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[29]
PMID28460551-Compound-2	DM4DOUB	N. A.	N. A.	Patented	[30]
PMID26560530-Compound-35	DMO36RL	N. A.	N. A.	Patented	[31]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Muscarinic acetylcholine receptor (CHRM)	TTOXS3C	NOUNIPROTAC	Modulator (allosteric modulator)	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glycogen synthase kinase-3 beta (GSK3B)	OTL3L14B	GSK3B_HUMAN	Gene/Protein Processing	[3]
MAP kinase-activated protein kinase 5 (MAPKAPK5)	OTAZHPVK	MAPK5_HUMAN	Gene/Protein Processing	[3]

References

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• [15] Effects and mechanisms of betulinic acid on improving EGFR TKI-resistance of lung cancer cells. Environ Toxicol. 2018 Nov;33(11):1153-1159.
• [16] The protective effects of liraglutide on AD-like neurodegeneration induced by oxidative stress in human neuroblastoma SH-SY5Y cells. Chem Biol Interact. 2019 Sep 1;310:108688. doi: 10.1016/j.cbi.2019.06.001. Epub 2019 Jun 4.
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• [19] Differential effects of simvastatin and pravastatin on expression of Alzheimer's disease-related genes in human astrocytes and neuronal cells. J Lipid Res. 2009 Oct;50(10):2095-102. doi: 10.1194/jlr.M900236-JLR200. Epub 2009 May 21.
• [20] 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.
• [21] Suppression of NF-kappaB and GSK-3beta is involved in colon cancer cell growth inhibition by the PPAR agonist troglitazone. Chem Biol Interact. 2010 Oct 6;188(1):75-85. doi: 10.1016/j.cbi.2010.06.001. Epub 2010 Jun 9.
• [22] 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.
• [23] NGBR is required to ameliorate type 2 diabetes in mice by enhancing insulin sensitivity. J Biol Chem. 2021 Jan-Jun;296:100624. doi: 10.1016/j.jbc.2021.100624. Epub 2021 Apr 2.
• [24] 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.
• [25] 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.
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• [28] A high concentration of genistein down-regulates activin A, Smad3 and other TGF-beta pathway genes in human uterine leiomyoma cells. Exp Mol Med. 2012 Apr 30;44(4):281-92.
• [29] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [30] Cell-based two-dimensional morphological assessment system to predict cancer drug-induced cardiotoxicity using human induced pluripotent stem cell-derived cardiomyocytes. Toxicol Appl Pharmacol. 2019 Nov 15;383:114761. doi: 10.1016/j.taap.2019.114761. Epub 2019 Sep 15.
• [31] Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J. 2000 Oct 1;351(Pt 1):95-105.