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

General Information of Drug (ID: DM6USPC)

• Drug Name: TRISMETHOXYRESVERATROL Drug Info
• Synonyms: 22255-22-7; trans-Trimethoxyresveratrol; (E)-1,3-Dimethoxy-5-(4-methoxystyryl)benzene; (E)-3,5,4'-Trimethoxystilbene; 3,4',5-trimethoxy-trans-stilbene; 3,4',5-trimethoxystilbene; 3,5,4'-trimethoxystilbene; TRIMETHOXYSTILBENE; TRISMETHOXYRESVERATROL; E-Resveratrol trimethyl ether; CHEMBL296411; 1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene; trans-3,4',5-trimethoxystilbene; GDHNBPHYVRHYCC-SNAWJCMRSA-N; (E)-3,4',5-Trimethoxystilbene; 5-[2-(4-Methoxyphenyl)Ethenyl]-1,3-Dimethoxy Benzene

Indication

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

• Cross-matching ID:
  PubChem CID: 5388063
  CAS Number: CAS 22255-22-7
  TTD Drug ID: DM6USPC

Molecule-Related Drug Atlas

Drug(s) Targeting Multidrug resistance protein 1 (ABCB1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CBT-1	DM097UP	Non-small-cell lung cancer	2C25.Y	Phase 3	[3]
EDP-322	DMWTVM1	Bacterial infection	1A00-1C4Z	Phase 1	[4]
W-198	DMJ2R69	Solid tumour/cancer	2A00-2F9Z	Phase 1	[5]
LY335979	DM2KITF	Acute myeloid leukaemia	2A60	Discontinued in Phase 3	[6]
Biricodar	DM65JCM	Ovarian cancer	2C73	Discontinued in Phase 2	[7]
Tariquidar	DMJG7VP	Adrenocortical carcinoma	2D11.Z	Discontinued in Phase 2	[8]
Elacridar	DMURVE8	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[9]
ONT-093	DMB8T5U	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 1	[10]
[1,1':2',1'']-terphenyl-4,3'',5''-triol	DMVOY4D	Discovery agent	N.A.	Investigative	[2]
XR-9456	DMTUFI1	Discovery agent	N.A.	Investigative	[11]

Drug(s) Targeting Tyrosine-protein kinase ABL1 (ABL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ponatinib	DMYGJQO	Acute lymphoblastic leukaemia	2A85	Approved	[12]
Bosutinib	DMTI8YE	Breast cancer	2C60-2C65	Approved	[13]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[14]
Adenosine triphosphate	DM79F6G	Malnutrition	5B50-5B71	Approved	[15]
Saracatinib	DMBLHGP	Hematologic tumour	2B33.Y	Phase 2	[16]
Flumatinib	DM0G5O6	Chronic myelogenous leukaemia	2A20.0	Phase 2	[17]
DCC-2036	DMJKFNU	Chronic myeloid leukaemia	2A20	Phase 1/2	[18]
ISIS-CRP	DMQDUG4	Cardiovascular disease	BA00-BE2Z	Phase 1	[19]
KW-2449	DMFO7RP	Acute myeloid leukaemia	2A60	Phase 1	[20]
PMID27774824-Compound-Figure9Example2down	DMXAV42	N. A.	N. A.	Patented	[21]

Drug(s) Targeting Cytochrome P450 1B1 (CYP1B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PINOCEMBRIN	DM96VWD	N. A.	N. A.	Phase 2	[22]
Naringenin	DMHAZLM	N. A.	N. A.	Phase 1	[22]
Chrysin	DM7V2LG	Discovery agent	N.A.	Investigative	[22]
Apigenin	DMI3491	Discovery agent	N.A.	Investigative	[22]
Kaempferol	DMHEMUB	Discovery agent	N.A.	Investigative	[22]
ISORHAMNETIN	DMQ4Z6E	Discovery agent	N.A.	Investigative	[22]
Acacetin	DMQOB0X	Discovery agent	N.A.	Investigative	[22]
Galangin	DM5TQ2O	Discovery agent	N.A.	Investigative	[22]
CHRYSOERIOL	DM96ECL	Discovery agent	N.A.	Investigative	[22]
DIOSMETIN	DM4KXIM	Discovery agent	N.A.	Investigative	[22]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cytochrome P450 1B1 (CYP1B1)	TTI84H7	CP1B1_HUMAN	Inhibitor	[1]
Multidrug resistance protein 1 (ABCB1)	TT3OT40	MDR1_HUMAN	Inhibitor	[2]
Tyrosine-protein kinase ABL1 (ABL)	TT3PJMV	ABL1_HUMAN	Inhibitor	[2]

References

• [1] Design, synthesis, and discovery of novel trans-stilbene analogues as potent and selective human cytochrome P450 1B1 inhibitors. J Med Chem. 2002 Jan 3;45(1):160-4.
• [2] Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem. 2006 May 18;49(10):3012-8.
• [3] A pharmacodynamic study of the P-glycoprotein antagonist CBT-1 in combination with paclitaxel in solid tumors. Oncologist.2012;17(4):512.
• [4] In vitro activities of the novel bicyclolides modithromycin (EDP-420, EP-013420, S-013420) and EDP-322 against MDR clinical Neisseria gonorrhoeae isolates and international reference strains. J Antimicrob Chemother. 2015 Jan;70(1):173-7.
• [5] Mechanisms of tetrandrine and 5-bromotetrandrine in reversing multidrug resistance may relate to down-regulation of multidrug resistance associated protein 7 expression. Zhongguo Shi Yan Xue Ye Xue Za Zhi. 2012 Jun;20(3):558-63.
• [6] A Phase I trial of a potent P-glycoprotein inhibitor, zosuquidar trihydrochloride (LY335979), administered intravenously in combination with doxoru... Clin Cancer Res. 2004 May 15;10(10):3265-72.
• [7] ClinicalTrials.gov (NCT00003847) VX-710, Doxorubicin, and Vincristine for the Treatment of Patients With Recurrent Small Cell Lung Cancer. U.S. National Institutes of Health.
• [8] Inhibition of P-glycoprotein (ABCB1)- and multidrug resistance-associated protein 1 (ABCC1)-mediated transport by the orally administered inhibitor, CBT-1((R)).Biochem Pharmacol.2008 Mar 15;75(6):1302-12.
• [9] 2-[(3-Methoxyphenylethyl)phenoxy]-based ABCB1 inhibitors: effect of different basic side-chains on their biological properties. J Med Chem. 2008 Dec 11;51(23):7602-13.
• [10] A phase I pharmacokinetic study of the P-glycoprotein inhibitor, ONT-093, in combination with paclitaxel in patients with advanced cancer. Invest New Drugs. 2005 Aug;23(4):311-5.
• [11] Functional assay and structure-activity relationships of new third-generation P-glycoprotein inhibitors. Bioorg Med Chem. 2008 Mar 1;16(5):2448-62.
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [13] 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.
• [14] Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem. 2006 Dec 28;49(26):7868-76.
• [15] Targeted chronic myeloid leukemia therapy: Seeking a cure. Am J Health Syst Pharm. 2007 Dec 15;64(24 Suppl 15):S9-15.
• [16] Novel dual Src/Abl inhibitors for hematologic and solid malignancies.Expert Opin Investig Drugs.2010 Aug;19(8):931-45.
• [17] Flumatinib, a selective inhibitor of BCR-ABL/PDGFR/KIT, effectively overcomes drug resistance of certain KIT mutants. Cancer Sci. 2014 Jan;105(1):117-25.
• [18] Company report (Deciphera Pharmaceuticals: Tumor-Targeted Programs and Indications)
• [19] Structure-based optimization of pyrazolo[3,4-d]pyrimidines as Abl inhibitors and antiproliferative agents toward human leukemia cell lines. J Med Chem. 2008 Mar 13;51(5):1252-9.
• [20] KW-2449, a novel multikinase inhibitor, suppresses the growth of leukemia cells with FLT3 mutations or T315I-mutated BCR/ABL translocation. Blood. 2009 Aug 20;114(8):1607-17.
• [21] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 1.Expert Opin Ther Pat. 2017 Feb;27(2):127-143.
• [22] Selective inhibition of methoxyflavonoids on human CYP1B1 activity. Bioorg Med Chem. 2010 Sep 1;18(17):6310-5.