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

NB-598 Drug Info

KIRGLCXNEVICOG-SOFGYWHQSA-N; 131060-14-5; NB 598; CHEMBL27885; (E)-3-[(3,3'-Bithiophen)-5-ylmethoxy]-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethylbenzylamine; (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine; AC1O5YMV; SCHEMBL9454494; C27H31NOS2; GTPL3103; SCHEMBL9454490; (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine; ZINC2003883; BCP28146; EX-A1748; BDBM50032850; 3914AH; AKOS030526399; CS-1274; NCGC00165845-01

Cross-matching ID

PubChem CID

6443223

CAS Number

CAS 131060-14-5

TTD Drug ID

DMJVTQN

General Information of Drug (ID: DMJVTQN)

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Squalene monooxygenase (SQLE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Naftifine	DMHVBG1	Dermatomycosis	EA60	Approved	[2]
Tolnaftate	DM28MU7	Dermatophytosis	1F28.2	Approved	[3]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[4]
FR-194738	DMNACIV	Hypercholesterolaemia	5C80.0	Terminated	[5]
SDZ-87-469	DMBY6CQ	Coronary artery disease	BA80	Terminated	[3]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[4]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose	DMTK650	Discovery agent	N.A.	Investigative	[4]
Pedunculagin	DMKLRCX	Discovery agent	N.A.	Investigative	[4]
CORILAGIN	DMAC698	Discovery agent	N.A.	Investigative	[4]
ETHYLGALLATE	DMJ6PB8	Discovery agent	N.A.	Investigative	[4]
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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
Squalene monooxygenase (SQLE)	TTE14XG	ERG1_HUMAN	Inhibitor	[1]

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References

1	Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50.
2	Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.
3	Effects of squalene epoxidase inhibitors on Candida albicans. Antimicrob Agents Chemother. 1992 Aug;36(8):1779-81.
4	Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4.
5	Synthesis and biological activity of a novel squalene epoxidase inhibitor, FR194738. Bioorg Med Chem Lett. 2004 Feb 9;14(3):633-7.