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

General Information of Drug (ID: DM7586F)

• Drug Name: Bafetinib Drug Info
• Synonyms: Bafetinib; 859212-16-1; INNO-406; NS-187; UNII-NVW4Z03I9B; CNS-9; NVW4Z03I9B; INNO406; CHEMBL206834; (S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide; 4-[[(3S)-3-DIMETHYLAMINOPYRROLIDIN-1-YL]METHYL]-N-[4-METHYL-3-[(4-PYRIMIDIN-5-YLPYRIMIDIN-2-YL)AMINO]PHENYL]-3-(TRIFLUOROMETHYL)BENZAMIDE; INNO 406; NS 187; N-[3-(4,5'-Bipyrimidin-2-Ylamino)-4-Methylphenyl]-4-{[(3s)-3-(Dimethylamino)pyrrolidin-1-Yl]methyl}-3-(Trifluoromethyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Bone disease	FC0Z	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 11387605
  CAS Number: CAS 859212-16-1
  TTD Drug ID: DM7586F

Molecule-Related Drug Atlas

Drug(s) Targeting Fusion protein Bcr-Abl (Bcr-Abl)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[4]
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[4]
Nilotinib	DM7HXWT	Chronic myelogenous leukaemia	2A20.0	Approved	[5]
Asciminib	DM7EVUF	Chronic myeloid leukaemia	2A20	Approved	[6]
Radotinib	DMWA74Y	leukaemia	2A60-2B33	Phase 3	[7]
ABL 001	DMMF5K4	Chronic myeloid leukaemia	2A20	Phase 3	[8]
ICLUSIG	DM1SQSE	Acute lymphoblastic leukaemia	2A85	Phase 3	[9]
AN-019	DMJ7QP8	Chronic myelogenous leukaemia	2A20.0	Phase 2	[10]
HQP1351	DMQ30X2	Chronic myeloid leukaemia	2A20	Phase 2	[11]
NPB-001-056	DM78KMT	Chronic myelogenous leukaemia	2A20.0	Phase 1/2	[12]

Drug(s) Targeting Tyrosine-protein kinase Lyn (JTK8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
JNJ-26483327	DMSQ3AZ	Solid tumour/cancer	2A00-2F9Z	Phase 1	[13]
Alkynyl-substituted pyrimidinyl-pyrrole derivative 1	DMK7DJ2	N. A.	N. A.	Patented	[14]
NG-25	DMC48D9	Discovery agent	N.A.	Investigative	[15]
PMID17600705C23	DMJFOGW	Discovery agent	N.A.	Investigative	[16]

Drug(s) Affected By Tyrosine-protein kinase Lyn (LYN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[17]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[20]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[21]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[22]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[23]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[24]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[25]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fusion protein Bcr-Abl (Bcr-Abl)	TTS7G69	BCR_HUMAN-ABL1_HUMAN	Modulator	[2]
Tyrosine-protein kinase Lyn (JTK8)	TT1RWNJ	LYN_HUMAN	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Tyrosine-protein kinase Lyn (LYN)	OTP686K2	LYN_HUMAN	Post-Translational Modifications	[3]

References

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• [2] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [3] Quercetin as a Lyn kinase inhibitor inhibits IgE-mediated allergic conjunctivitis. Food Chem Toxicol. 2020 Jan;135:110924. doi: 10.1016/j.fct.2019.110924. Epub 2019 Oct 28.
• [4] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [5] 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.
• [6] Asciminib in Chronic Myeloid Leukemia after ABL Kinase Inhibitor Failure. N Engl J Med. 2019 Dec 12;381(24):2315-2326.
• [7] Danusertib, an aurora kinase inhibitor.Expert Opin Investig Drugs.2012 Mar;21(3):383-93.
• [8] ABL001, a Potent Allosteric Inhibitor of BCR-ABL, Prevents Emergence of Resistant Disease When Administered in Combination with Nilotinib in an in Vivo Murine Model of Chronic Myeloid Leukemia, NorthBuilding, 2014, 120-125.
• [9] Ponatinib efficacy and safety in Philadelphia chromosome-positive leukemia: final 5-year results of the phase 2 PACE trial. Blood. 2018 Jul 26;132(4):393-404.
• [10] Design, synthesis and preclinical evaluation of NRC-AN-019. Int J Oncol. 2013 Jan;42(1):168-78.
• [11] Preclinical development of HQP1351, a multikinase inhibitor targeting a broad spectrum of mutant KIT kinases, for the treatment of imatinib-resistant gastrointestinal stromal tumors. Cell Biosci. 2019 Oct 26;9:88.
• [12] NPB001-05 inhibits Bcr-Abl kinase leading to apoptosis of imatinib-resistant cells. Front Biosci (Elite Ed). 2011 Jun 1;3:1273-88.
• [13] National Cancer Institute Drug Dictionary (drug id 596693).
• [14] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 2.Expert Opin Ther Pat. 2017 Feb;27(2):145-161.
• [15] Discovery of type II inhibitors of TGFbeta-activated kinase 1 (TAK1) and mitogen-activated protein kinase kinase kinase kinase 2 (MAP4K2). J Med Chem. 2015 Jan 8;58(1):183-96.
• [16] N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: indazoles as phenol isosteres with improved pharmacokinetics. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4363-8.
• [17] 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.
• [18] 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.
• [19] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [20] Temporal changes in gene expression in the skin of patients treated with isotretinoin provide insight into its mechanism of action. Dermatoendocrinol. 2009 May;1(3):177-87.
• [21] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [22] Expression profile analysis of human peripheral blood mononuclear cells in response to aspirin. Arch Immunol Ther Exp (Warsz). 2005 Mar-Apr;53(2):151-8.
• [23] Comparison of the gene expression profiles of monocytic versus granulocytic lineages of HL-60 leukemia cell differentiation by DNA microarray analysis. Life Sci. 2003 Aug 15;73(13):1705-19. doi: 10.1016/s0024-3205(03)00515-0.
• [24] Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
• [25] 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.
• [26] Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.