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

General Information of Drug (ID: DM6KOBZ)

• Drug Name: TAK-285 Drug Info
• Synonyms: TAK-285; 871026-44-7; TAK 285; TAK285; UNII-70CCB438L6; N-(2-(4-(3-CHLORO-4-(3-(TRIFLUOROMETHYL)PHENOXY)PHENYLAMINO)-5H-PYRROLO[3,2-D]PYRIMIDIN-5-YL)ETHYL)-3-HYDROXY-3-METHYLBUTANAMIDE; CHEMBL1614725; 70CCB438L6; N-{2-[4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-5h-Pyrrolo[3,2-D]pyrimidin-5-Yl]ethyl}-3-Hydroxy-3-Methylbutanamide; n-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5h-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide; C26H25ClF3N5O3

Indication

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

• Cross-matching ID:
  PubChem CID: 11620908
  CAS Number: CAS 871026-44-7
  TTD Drug ID: DM6KOBZ

Molecule-Related Drug Atlas

Drug(s) Targeting Erbb2 tyrosine kinase receptor (HER2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[4]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[5]
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[6]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[7]
NERATINIB MALEATE	DMEDU7B	HER2/NEU overexpressing breast cancer	2C60-2C65	Approved	[8]
Margetuximab	DMKEY6S	HER2-positive breast cancer	2C60-2C65	Approved	[9]
Trastuzumab	DMZQOUX	Breast cancer	2C60-2C65	Approved	[10]
Tucatinib	DMBESUA	HER2-positive breast cancer	2C60-2C65	Approved	[11]
Pertuzumab	DMHJV0X	Adrenal gland neoplasm		Approved	[12]
Masoprocol	DMMVNZ0	Prostate cancer	2C82.0	Approved	[13]

Drug(s) Affected By Epidermal growth factor receptor (EGFR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[14]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[15]
Erlotinib	DMCMBHA	Adrenal gland neoplasm		Approved	[16]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[17]
Gemcitabine	DMSE3I7	Anterior urethra cancer		Approved	[18]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[19]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[20]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[21]
Selenium	DM25CGV	N. A.	N. A.	Approved	[22]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[23]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Erbb2 tyrosine kinase receptor (HER2)	TT6EO5L	ERBB2_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Epidermal growth factor receptor (EGFR)	OTAPLO1S	EGFR_HUMAN	Gene/Protein Processing	[3]

References

• [1] ClinicalTrials.gov (NCT00535522) A Safety and Pharmacokinetic Study of TAK-285 in Patients With Advanced Cancer. U.S. National Institutes of Health.
• [2] Clinical pipeline report, company report or official report of Takeda (2009).
• [3] Design and synthesis of novel human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors bearing a pyrrolo[3,2-d]pyrimidine scaffold. J Med Chem. 2011 Dec 8;54(23):8030-50. doi: 10.1021/jm2008634. Epub 2011 Nov 4.
• [4] Triple negative breast cancer--current status and prospective targeted treatment based on HER1 (EGFR), TOP2A and C-MYC gene assessment. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2009 Mar;153(1):13-7.
• [5] 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: 7422).
• [6] Boehringer Ingelheim. Product Development Pipeline. June 2 2009.
• [7] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [8] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [9] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [10] Her2/neu is not a commonly expressed therapeutic target in melanoma -- a large cohort tissue microarray study. Melanoma Res. 2004 Jun;14(3):207-10.
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [12] Clinical pipeline report, company report or official report of Roche (2009).
• [13] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [14] Cysteine mapping in conformationally distinct kinase nucleotide binding sites: application to the design of selective covalent inhibitors. J Med Chem. 2011 Mar 10;54(5):1347-55. doi: 10.1021/jm101396q. Epub 2011 Feb 15.
• [15] Dasatinib (BMS-354825) selectively induces apoptosis in lung cancer cells dependent on epidermal growth factor receptor signaling for survival. Cancer Res. 2006 Jun 1;66(11):5542-8. doi: 10.1158/0008-5472.CAN-05-4620.
• [16] Activating mutations in the epidermal growth factor receptor underlying responsiveness of non-small-cell lung cancer to gefitinib. N Engl J Med. 2004 May 20;350(21):2129-39. doi: 10.1056/NEJMoa040938. Epub 2004 Apr 29.
• [17] The dual ErbB1/ErbB2 inhibitor, lapatinib (GW572016), cooperates with tamoxifen to inhibit both cell proliferation- and estrogen-dependent gene expression in antiestrogen-resistant breast cancer. Cancer Res. 2005 Jan 1;65(1):18-25.
• [18] A fine-needle aspirate-based vulnerability assay identifies polo-like kinase 1 as a mediator of gemcitabine resistance in pancreatic cancer. Mol Cancer Ther. 2010 Feb;9(2):311-8. doi: 10.1158/1535-7163.MCT-09-0693. Epub 2010 Jan 26.
• [19] Prediction of chemosensitivity using multigene analysis in head and neck squamous cell carcinoma. Oncology. 2007;73(1-2):104-11. doi: 10.1159/000120998. Epub 2008 Mar 13.
• [20] 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.
• [21] Minimal peroxide exposure of neuronal cells induces multifaceted adaptive responses. PLoS One. 2010 Dec 17;5(12):e14352. doi: 10.1371/journal.pone.0014352.
• [22] Inhibition of invasion and induction of apoptosis by selenium in human malignant brain tumour cells in vitro. Int J Oncol. 2007 May;30(5):1263-71.
• [23] Ligand-dependent activation of the epidermal growth factor receptor by secondary bile acids in polarizing colon cancer cells. Surgery. 2005 Sep;138(3):415-21. doi: 10.1016/j.surg.2005.06.030.