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

General Information of Drug (ID: DML6HP3)

Drug Name

HSP-990 Drug Info

Synonyms

NVP-HSP990; 934343-74-5; HSP-990; UNII-E0WBA7B62L; HSP990 (NVP-HSP990); E0WBA7B62L; HSP990; NVP-HSP990(HSP990); SCHEMBL1351184; CHEMBL3360305; (7r)-2-Amino-7-[4-Fluoro-2-(6-Methoxypyridin-2-Yl)phenyl]-4-Methyl-7,8-Dihydropyrido[4,3-D]pyrimidin-5(6h)-One; NVP-HSP-990; HSP990 (NVP-HSP); NVP-HSP990,HSP990; DTXSID50239429; MolPort-023-219-119; 4u93; HSP990, NVP-HSP990; EX-A1560; AOB87737; NVP-HSP990 (HSP990); ZINC60329723; 2608AH; s7097; BDBM50031735; AKOS025404948; CS-3941; SB16642; BCP9001013

Indication

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

Cross-matching ID

PubChem CID: 46216556
CAS Number: CAS 934343-74-5
TTD Drug ID: DML6HP3
INTEDE Drug ID: DR1805

Molecule-Related Drug Atlas

Molecule Type:

DME

DOT

Drug Status:

Approved Drug(s)

Download the Complete Related Drug List

Drug(s) Metabolized By Cytochrome P450 2C9 (CYP2C9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[4]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[5]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[6]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[7]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[8]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[7]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[9]
Diclofenac	DMPIHLS	Chronic renal failure	GB61.Z	Approved	[10]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[11]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[12]
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Drug(s) Affected By Heat shock factor protein 1 (HSF1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[13]
SPI-1005	DM6XFHS	Reperfusion injury	ND56.Z	Approved	[3]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[3]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[14]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[15]
Ceftazidime	DM41GRA	Bacteremia	1A73	Approved	[3]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Chlorpheniramine	DM5URA2	Allergic rhinitis	CA08.0	Approved	[3]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[3]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[3]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2C9 (CYP2C9)^{Main DME}	DE5IED8	CP2C9_HUMAN	Substrate	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Heat shock factor protein 1 (HSF1)	OTYNJ4KP	HSF1_HUMAN	Gene/Protein Processing	[3]

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References

1	ClinicalTrials.gov (NCT00879905) A Study of HSP990 Administered by Mouth in Adult Patients With Advanced Solid Tumors. U.S. National Institutes of Health.
2	A first-in-human phase I, dose-escalation, multicentre study of HSP990 administered orally in adult patients with advanced solid malignancies. Br J Cancer. 2015 Feb 17;112(4):650-9.
3	A Gene Expression Biomarker Predicts Heat Shock Factor 1 Activation in a Gene Expression Compendium. Chem Res Toxicol. 2021 Jul 19;34(7):1721-1737. doi: 10.1021/acs.chemrestox.0c00510. Epub 2021 Jun 25.
4	Progesterone and testosterone hydroxylation by cytochromes P450 2C19, 2C9, and 3A4 in human liver microsomes. Arch Biochem Biophys. 1997 Oct 1;346(1):161-9.
5	Tamoxifen inhibits cytochrome P450 2C9 activity in breast cancer patients. J Chemother. 2006 Aug;18(4):421-4.
6	Characterization of the oxidative metabolites of 17beta-estradiol and estrone formed by 15 selectively expressed human cytochrome p450 isoforms. Endocrinology. 2003 Aug;144(8):3382-98.
7	Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
8	Drug-drug interactions with imatinib: an observational study. Medicine (Baltimore). 2016 Oct;95(40):e5076.
9	Drug interactions with calcium channel blockers: possible involvement of metabolite-intermediate complexation with CYP3A. Drug Metab Dispos. 2000 Feb;28(2):125-30.
10	New insights into the structural features and functional relevance of human cytochrome P450 2C9. Part I. Curr Drug Metab. 2009 Dec;10(10):1075-126.
11	A potential role for the estrogen-metabolizing cytochrome P450 enzymes in human breast carcinogenesis. Breast Cancer Res Treat. 2003 Dec;82(3):191-7.
12	A mechanistic approach to antiepileptic drug interactions. Ann Pharmacother. 1998 May;32(5):554-63.
13	NRF2 transcriptionally activates the heat shock factor 1 promoter under oxidative stress and affects survival and migration potential of MCF7 cells. J Biol Chem. 2018 Dec 14;293(50):19303-19316. doi: 10.1074/jbc.RA118.003376. Epub 2018 Oct 11.
14	Non-steroidal anti-inflammatory drugs inhibit the expression of cytokines and induce HSP70 in human monocytes. Cytokine. 1999 May;11(5):347-58. doi: 10.1006/cyto.1998.0437.
15	Simvastatin induces heat shock factor 1 in vascular endothelial cells. Atherosclerosis. 2006 Oct;188(2):265-73. doi: 10.1016/j.atherosclerosis.2005.10.045. Epub 2005 Dec 20.
16	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.