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

General Information of Drug (ID: DM4CI57)

Drug Name

SCH-68631 Drug Info

Synonyms

Sch-68631; CHEMBL179197; 3-Butanoyl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione; Sch68631; AC1LA66R; SCHEMBL16010694; CTK6D3164; BDBM50158807; SF-2418; PKF118-744; 100843-91-2; 3-Butyryl-1,8-dihydroxy-2-methyl-phenanthrene-9,10-dione; 3-butyryl-1,8-dihydroxy-2-methylphenanthrene-9,10-dione

Indication

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

Cross-matching ID

PubChem CID: 482190
TTD Drug ID: DM4CI57

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Discontinued Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Hepatitis C virus NS3 helicase (HCV NS3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
GS-9451	DMF910Q	Chronic HCV-1 infection	1E51.1	Phase 2	[2]
GS-9857	DMYU6P5	Hepatitis C virus infection	1E51.1	Phase 2	[3]
BILN-2061	DM2J36F	Hepatitis virus infection	1E50-1E51	Phase 2	[4]
VBY-376	DMU263R	Hepatitis C virus infection	1E51.1	Phase 1	[5]
ACH-2684	DMW6X0O	Hepatitis C virus infection	1E51.1	Phase 1	[6]
BMS-605339	DMY7ZRA	Hepatitis C virus infection	1E51.1	Terminated	[7]
GNF-PF-3464	DMWAKHD	Discovery agent	N.A.	Investigative	[8]
AcAsp-D-Gla-Leu-Ile-Cha-Cys	DMT74F5	Discovery agent	N.A.	Investigative	[1]
Cbz-Ile-Leu-L-(difluoro)aminobutyric acid	DMI53WR	Discovery agent	N.A.	Investigative	[1]
AcGlu-Dif-Ile-Cha-Cys	DMK6HGI	Discovery agent	N.A.	Investigative	[9]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus NS3 helicase (HCV NS3)	TTWXB3E	POLG_HCV1	Inhibitor	[1]

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References

1	Control of hepatitis C: a medicinal chemistry perspective. J Med Chem. 2005 Jan 13;48(1):1-20.
2	Characterization of Resistance to the Protease Inhibitor GS-9451 in Hepatitis C Virus-Infected Patients. Antimicrob Agents Chemother. 2012 October; 56(10): 5289-5295.
3	Clinical pipeline report, company report or official report of Gilead.
4	Antiviral efficacy of NS3-serine protease inhibitor BILN-2061 in patients with chronic genotype 2 and 3 hepatitis C. Hepatology. 2005 Apr;41(4):832-5.
5	Hepatitis C Virus NS3/4A Protease Inhibitors: A Light at the End of the Tunnel. Viruses. 2010 August; 2(8): 1752-1765.
6	Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
7	Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection. J Med Chem.2014 Mar 13;57(5):1708-29.
8	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.
9	Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain. Bioorg Med Chem Lett. 2001 Jan 22;11(2):203-6.