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

General Information of Drug (ID: DMDBOJ5)

• Drug Name: 3,4,5-Trimethoxy-4'-amino-trans-stilbene Drug Info
• Synonyms: CHEMBL87477; SCHEMBL4263050; MWXBWYJFAGYFKS-SNAWJCMRSA-N; ZINC26575008; BDBM50322046; (E)-4'-Amino-3,4,5-trimethoxystilbene; 3,4,5-Trimethoxy-4''-amino-trans-stilbene; 4-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-phenylamine

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 15696376
  TTD Drug ID: DMDBOJ5

Molecule-Related Drug Atlas

Drug(s) Targeting Aromatase (CYP19A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Anastrozole	DMNP60F	Breast cancer	2C60-2C65	Approved	[2]
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[3]
Exemestane	DM9HPW3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[3]
Aminoglutethimide	DMWFHMZ	Cushing disease	5A70	Approved	[4]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[5]
Testolactone	DMVY4GN	Breast cancer	2C60-2C65	Approved	[6]
LIAROZOLE	DM4OYXE	Dermatological disease	DA24.Y	Phase 2/3	[7]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[8]
BGS-649	DMO4MNQ	Endometriosis	GA10	Phase 2	[9]
NARINGENIN	DMHAZLM	N. A.	N. A.	Phase 1	[7]

Drug(s) Targeting Quinone reductase 2 (NQO2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[10]
NSC-645809	DMPJQZG	Breast cancer	2C60-2C65	Phase 2	[11]
Prolarix	DMZIQ8G	Solid tumour/cancer	2A00-2F9Z	Phase 2	[12]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[13]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[13]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[14]
NSC-645808	DMMBAR3	Discovery agent	N.A.	Investigative	[11]
decynium 22	DMWCTZ7	Discovery agent	N.A.	Investigative	[15]
NSC-106080	DMR6P9S	Discovery agent	N.A.	Investigative	[15]
NSC-99528	DMXZAIG	Discovery agent	N.A.	Investigative	[15]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

References

• [1] Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.
• [2] Effective aromatase inhibition by anastrozole in a patient with gonadotropin-independent precocious puberty in McCune-Albright syndrome. J Pediatr Endocrinol Metab. 2002;15 Suppl 3:945-8.
• [3] Aromatase inhibitors--theoretical concept and present experiences in the treatment of endometriosis. Zentralbl Gynakol. 2003 Jul-Aug;125(7-8):247-51.
• [4] Aminoglutethimide-induced protein free radical formation on myeloperoxidase: a potential mechanism of agranulocytosis. Chem Res Toxicol. 2007 Jul;20(7):1038-45.
• [5] Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach. J Med Chem. 2005 Nov 17;48(23):7282-9.
• [6] Aromatase inhibitors for male infertility. J Urol. 2002 Feb;167(2 Pt 1):624-9.
• [7] Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.
• [8] Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template. J Med Chem. 2010 Mar 11;53(5):2155-70.
• [9] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032111)
• [10] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [11] Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
• [12] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [13] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [14] Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
• [15] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.