Details of the Drug Combination

General Information of Drug Combination (ID: DCD377A)

Drug Combination Name

Chlorphenesin ETHISTERONE

Indication

Disease Entry	Status	REF
Chronic myelogenous leukemia	Investigative	[1]

Component Drugs

Chlorphenesin DM3VZJQ

ETHISTERONE DMDXRP1

Small molecular drug

2D MOL

3D MOL

High-throughput Screening Result

Testing Cell Line: KBM-7

Zero Interaction Potency (ZIP) Score: 9.86

Bliss Independence Score: 9.86

Loewe Additivity Score: 22.16

LHighest Single Agent (HSA) Score: 22.18

Molecular Interaction Atlas of This Drug Combination

Molecular Interaction Atlas (MIA)

Indication(s) of Chlorphenesin

Disease Entry	ICD 11	Status	REF
Injury	NA00-ND5Z	Approved	[2]
Muscular pain	FB56	Approved	[2]
Fungal infection	1F29-1F2F	Withdrawn from market	[2]

Indication(s) of ETHISTERONE

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[3]

ETHISTERONE Interacts with 1 DTT Molecule(s)

DTT Name	DTT ID	UniProt ID	Mode of Action	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[3]
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ETHISTERONE Interacts with 3 DOT Molecule(s)

DOT Name	DOT ID	UniProt ID	Mode of Action	REF
Serine/threonine-protein kinase Sgk1 (SGK1)	OT301T1U	SGK1_HUMAN	Increases Expression	[4]
Myb-related protein A (MYBL1)	OTBJMC2P	MYBA_HUMAN	Increases Expression	[4]
Protein GREB1 (GREB1)	OTU6ZA26	GREB1_HUMAN	Increases Expression	[4]
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References

1	Recurrent recessive mutation in deoxyguanosine kinase causes idiopathic noncirrhotic portal hypertension.Hepatology. 2016 Jun;63(6):1977-86. doi: 10.1002/hep.28499. Epub 2016 Mar 31.
2	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
3	TOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: evaluation of different classification model combinations using bond-b... Bioorg Med Chem. 2007 Feb 1;15(3):1483-503.
4	A Gene Expression Biomarker Identifies Chemical Modulators of Estrogen Receptor in an MCF-7 Microarray Compendium. Chem Res Toxicol. 2021 Feb 15;34(2):313-329. doi: 10.1021/acs.chemrestox.0c00243. Epub 2021 Jan 6.