Details of the Drug Combination

General Information of Drug Combination (ID: DCPIJEX)

• Drug Combination Name: Valrubicin + FORMESTANE
• Indication: Carcinoma; Status: Investigative [1]
• Component Drugs:
  Valrubicin (DMOYJFK): Small molecular drug
  FORMESTANE (DMWIDJK): Small molecular drug
• High-throughput Screening Result:
  Testing Cell Line: MCF7
  Zero Interaction Potency (ZIP) Score: 3.68
  Bliss Independence Score: 10.65
  Loewe Additivity Score: 13.92
  LHighest Single Agent (HSA) Score: 13.06

Molecular Interaction Atlas of This Drug Combination

Indication(s) of Valrubicin

Disease Entry	ICD 11	Status	REF
Bladder cancer	2C94	Approved	[2]
In situ carcinoma	N.A.	Approved	[3]
Urinary bladder cancer	N.A.	Approved	[3]
Psoriasis vulgaris	EA90	Phase 2	[4]

Valrubicin Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN; TOP2B_HUMAN	Inhibitor	[5]

Valrubicin Interacts with 1 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Bile salt export pump (ABCB11)	OTRU7THO	ABCBB_HUMAN	Decreases Activity	[6]

Indication(s) of FORMESTANE

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Withdrawn from market	[4]

FORMESTANE Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[7]

FORMESTANE Interacts with 2 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Adenylate kinase isoenzyme 1 (AK1)	OT614AR3	KAD1_HUMAN	Increases ADR	[8]
17-beta-hydroxysteroid dehydrogenase type 1 (HSD17B1)	OT6EBDHM	DHB1_HUMAN	Decreases Activity	[9]

Test Results of This Drug Combination in Other Disease Systems

Indication	DrugCom ID	Cell Line	Status	REF
Astrocytoma	DC8JU71	U251	Investigative	[10]
Astrocytoma	DCBDP2O	SNB-19	Investigative	[10]
Renal cell carcinoma	DCWMNIP	SN12C	Investigative	[10]
Carcinoma	DCQBZDC	RXF 393	Investigative	[1]
Adenocarcinoma	DCBI8JR	DU-145	Investigative	[11]
Adenocarcinoma	DCLX43N	A549	Investigative	[11]
Adenocarcinoma	DCEDY43	HCT116	Investigative	[11]
Adenocarcinoma	DCITBN0	HT29	Investigative	[11]
High grade ovarian serous adenocarcinoma	DCSXK71	OVCAR-8	Investigative	[11]
Large cell lung carcinoma	DC0DDIK	NCI-H460	Investigative	[11]
Lung adenocarcinoma	DC0IM15	MDA-MB-231	Investigative	[11]
Malignant melanoma	DCGI67H	LOX IMVI	Investigative	[11]
Melanoma	DCIBCYP	SK-MEL-2	Investigative	[11]
Mixed endometrioid and clear cell carcinoma	DCPIC89	IGROV1	Investigative	[11]
Non-small cell lung carcinoma	DCUZ8D1	HOP-92	Investigative	[11]
Prostate carcinoma	DC3PN0D	PC-3	Investigative	[11]

References

• [1] CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1126165
• [2] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [3] Valrubicin FDA Label
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [5] Metabolic activation of N-acylanthracyclines precedes their interaction with DNA topoisomerase II. NCI Monogr. 1987;(4):111-5.
• [6] A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. Toxicol Sci. 2013 Nov;136(1):216-41.
• [7] The taiwaniaquinoids: a review. J Nat Prod. 2010 Feb 26;73(2):284-98.
• [8] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [9] Mammalian lignans and genistein decrease the activities of aromatase and 17beta-hydroxysteroid dehydrogenase in MCF-7 cells. J Steroid Biochem Mol Biol. 2005 Apr;94(5):461-7.
• [10] CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125966
• [11] CheMBL Affinity Phenotypic Cellular Interaction Assay ID: CHEMBL1125976