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

General Information of Drug (ID: DMQ7UN6)

• Drug Name: Trodusquemine Drug Info
• Synonyms: Produlestan; Trodulamine; Aminosterol 1436; MSI-1436; Aminosterols (obesity, type 2 diabetes), Genaera

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 1	[1]
Obesity	5B81	Phase 1	[2]

• Cross-matching ID:
  PubChem CID: 9917968
  CAS Number: CAS 186139-09-3
  TTD Drug ID: DMQ7UN6

Molecule-Related Drug Atlas

Drug(s) Targeting Protein-tyrosine phosphatase 1B (PTP1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IONIS-PTP1BRX	DMGTJUP	Type-2 diabetes	5A11	Phase 2	[4]
TTP-814	DMH9RGV	Diabetic complication	5A2Y	Phase 1/2	[5]
KQ-791	DMK0BTN	Type-2 diabetes	5A11	Phase 1	[4]
JTT-551	DM48HVI	Type-2 diabetes	5A11	Terminated	[6]

Drug(s) Affected By Tyrosine-protein phosphatase non-receptor type 1 (PTPN1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[7]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[8]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[9]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[10]
Benzoic Acid	DMKB9FI	Alopecia areata	ED70.2	Approved	[11]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[12]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[13]
Seocalcitol	DMKL9QO	Rickets	5B57	Phase 3	[14]
URSOLIC ACID	DM4SOAW	Metabolic syndrome x	5C50-5D2Z	Phase 2	[15]
DNCB	DMDTVYC	Immune System disease	4A01-4B41	Phase 2	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein-tyrosine phosphatase 1B (PTP1B)	TTMS7KP	PTN1_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Tyrosine-protein phosphatase non-receptor type 1 (PTPN1)	OTO4ZVIA	PTN1_HUMAN	Gene/Protein Processing	[3]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] ClinicalTrials.gov (NCT00806338) An Ascending Multi-Dose, Tolerance and Pharmacokinetic Study in Obese or Overweight Type 2 Diabetic Volunteers. U.S. National Institutes of Health.
• [3] Inhibition of PTP1B by trodusquemine (MSI-1436) causes fat-specific weight loss in diet-induced obese mice. Obesity (Silver Spring). 2010 Aug;18(8):1516-23.
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] Protein tyrosine phosphatase 1B (PTP-1B; PTPN1). SciBX 5(7); doi:10.1038/scibx.2012.176. Feb. 16 2012
• [6] Pharmacological effects of JTT-551, a novel protein tyrosine phosphatase 1B inhibitor, in diet-induced obesity mice. J Diabetes Res. 2014;2014:680348.
• [7] Chronic occupational exposure to arsenic induces carcinogenic gene signaling networks and neoplastic transformation in human lung epithelial cells. Toxicol Appl Pharmacol. 2012 Jun 1;261(2):204-16.
• [8] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [9] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [10] 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.
• [11] Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells. Eur J Med Chem. 2014 Jan;71:112-27. doi: 10.1016/j.ejmech.2013.11.001. Epub 2013 Nov 11.
• [12] Identification of novel low-dose bisphenol a targets in human foreskin fibroblast cells derived from hypospadias patients. PLoS One. 2012;7(5):e36711. doi: 10.1371/journal.pone.0036711. Epub 2012 May 4.
• [13] Grouping of histone deacetylase inhibitors and other toxicants disturbing neural crest migration by transcriptional profiling. Neurotoxicology. 2015 Sep;50:56-70.
• [14] Expression profiling in squamous carcinoma cells reveals pleiotropic effects of vitamin D3 analog EB1089 signaling on cell proliferation, differentiation, and immune system regulation. Mol Endocrinol. 2002 Jun;16(6):1243-56.
• [15] Coumarins from Angelica decursiva inhibit -glucosidase activity and protein tyrosine phosphatase 1B. Chem Biol Interact. 2016 May 25;252:93-101. doi: 10.1016/j.cbi.2016.04.020. Epub 2016 Apr 13.
• [16] Proteomic analysis of the cellular response to a potent sensitiser unveils the dynamics of haptenation in living cells. Toxicology. 2020 Dec 1;445:152603. doi: 10.1016/j.tox.2020.152603. Epub 2020 Sep 28.