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

General Information of Drug (ID: DM2B9E0)

• Drug Name: AT13387 Drug Info
• Synonyms: AT-13387

Indication

Disease Entry	ICD 11	Status	REF
Melanoma	2C30	Phase 1	[1]

• Therapeutic Class: Anticancer Agents
• Cross-matching ID:
  PubChem CID: 11955716
  ChEBI ID: CHEBI:140592
  CAS Number: CAS 912999-49-6
  TTD Drug ID: DM2B9E0

Molecule-Related Drug Atlas

Drug(s) Targeting Heat shock protein 90 alpha (HSP90A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cromoglicate	DM74LZK	Asthma	CA23	Approved	[4]
Amlexanox	DM0DQM5	Respiratory tract inflammation	CA07	Approved	[4]
NVP-AUY922	DMTYXQF	Multiple myeloma	2A83	Phase 2	[5]
BIIB-021	DMPAJ41	Breast cancer	2C60-2C65	Phase 2	[6]
KW-2478	DMJGL72	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
VER 50589	DMFLZPC	Breast cancer	2C60-2C65	Phase 2	[5]
Tanespimycin	DMNLQHK	Breast cancer	2C60-2C65	Phase 2	[8]
Efungumab	DMBHP56	Breast cancer	2C60-2C65	Phase 2	[9]
SNX-5422	DMIU0VP	Haematological malignancy	2B33.Y	Phase 1/2	[10]
PU3	DMJO0BP	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]

Drug(s) Affected By mRNA-capping enzyme (RNGTT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Testosterone enanthate	DMB6871	N. A.	N. A.	Approved	[12]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[13]
TAK-243	DM4GKV2	Solid tumour/cancer	2A00-2F9Z	Phase 1	[14]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[15]
PMID28460551-Compound-2	DM4DOUB	N. A.	N. A.	Patented	[16]
Geldanamycin	DMS7TC5	Kidney cancer	2C90.0	Discontinued in Phase 2	[17]
bisphenol A	DM2ZLD7	Discovery agent	N.A.	Investigative	[18]
Milchsaure	DM462BT	Pruritus	EC90	Investigative	[19]
Trichostatin A	DM9C8NX	Solid tumour/cancer	2A00-2F9Z	Investigative	[20]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Heat shock protein 90 alpha (HSP90A)	TT78R5H	HS90A_HUMAN	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
mRNA-capping enzyme (RNGTT)	OT59E0KX	MCE1_HUMAN	Gene/Protein Processing	[3]

References

• [1] Clinical pipeline report, company report or official report of Astex Pharmaceuticals.
• [2] Astex Presents Updates on AT13387, its HSP90 Inhibitor, and AT9283, its Multi-Targeted Kinase Inhibitor at the EORTC-NCI-AACR Cancer Conference. Astex. 2008.
• [3] RNA-binding proteins and heat-shock protein 90 are constituents of the cytoplasmic capping enzyme interactome. J Biol Chem. 2018 Oct 26;293(43):16596-16607. doi: 10.1074/jbc.RA118.004973. Epub 2018 Aug 30.
• [4] Hsp90 is a direct target of the anti-allergic drugs disodium cromoglycate and amlexanox. Biochem J. 2003 Sep 1;374(Pt 2):433-41.
• [5] Recent advances in Hsp90 inhibitors as antitumor agents. Anticancer Agents Med Chem. 2008 Oct;8(7):761-82.
• [6] BIIB021, an orally available, fully synthetic small-molecule inhibitor of the heat shock protein Hsp90. Mol Cancer Ther. 2009 Apr;8(4):921-9.
• [7] Anti-tumor activity against multiple myeloma by combination of KW-2478, an Hsp90 inhibitor, with bortezomib. Blood Cancer J. 2012 Apr;2(4):e68.
• [8] Tanespimycin: the opportunities and challenges of targeting heat shock protein 90. Expert Opin Investig Drugs. 2009 Jun;18(6):861-8.
• [9] Efungumab: a novel agent in the treatment of invasive candidiasis. Ann Pharmacother. 2009 Nov;43(11):1818-23.
• [10] SNX-2112, a selective Hsp90 inhibitor, potently inhibits tumor cell growth, angiogenesis, and osteoclastogenesis in multiple myeloma and other hema... Blood. 2009 Jan 22;113(4):846-55.
• [11] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [12] Transcriptional profiling of testosterone-regulated genes in the skeletal muscle of human immunodeficiency virus-infected men experiencing weight loss. J Clin Endocrinol Metab. 2007 Jul;92(7):2793-802. doi: 10.1210/jc.2006-2722. Epub 2007 Apr 17.
• [13] The thioxotriazole copper(II) complex A0 induces endoplasmic reticulum stress and paraptotic death in human cancer cells. J Biol Chem. 2009 Sep 4;284(36):24306-19.
• [14] Inhibiting ubiquitination causes an accumulation of SUMOylated newly synthesized nuclear proteins at PML bodies. J Biol Chem. 2019 Oct 18;294(42):15218-15234. doi: 10.1074/jbc.RA119.009147. Epub 2019 Jul 8.
• [15] Transcriptional signature of human macrophages exposed to the environmental contaminant benzo(a)pyrene. Toxicol Sci. 2010 Apr;114(2):247-59.
• [16] 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.
• [17] Identification of transcriptome signatures and biomarkers specific for potential developmental toxicants inhibiting human neural crest cell migration. Arch Toxicol. 2016 Jan;90(1):159-80.
• [18] Epigenetic influences of low-dose bisphenol A in primary human breast epithelial cells. Toxicol Appl Pharmacol. 2010 Oct 15;248(2):111-21.
• [19] Transcriptional profiling of lactic acid treated reconstructed human epidermis reveals pathways underlying stinging and itch. Toxicol In Vitro. 2019 Jun;57:164-173.
• [20] From transient transcriptome responses to disturbed neurodevelopment: role of histone acetylation and methylation as epigenetic switch between reversible and irreversible drug effects. Arch Toxicol. 2014 Jul;88(7):1451-68.