Details of the Drug

General Information of Drug (ID: DMVGMNC)

Drug Name

MK-0616

Synonyms

MK0616; MK-0616; GTPL12689; GLXC-27059; PCSK9 macrocyclic peptide inhibitor MK-0616

Indication

Disease Entry	ICD 11	Status	REF
Hypercholesterolaemia	5C80.0	Phase 2	[1]
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Drug Type

Peptide

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C81H109FN15O15S2+
Canonical SMILES: CC1=CC(=CC(=C1)N2C=C(N=N2)CN3C=C(C4=C3C=CC(=C4)F)CC5C(=O)N6CCC(C6C(=O)NC(C(C)O)C(=O)NC(CC7=CC=C(C=C7)OC)C(=O)N8CCCC8(C)C(=O)NCCS)OCC=CCC9=CC(=CC=C9)CC(C(=O)N5)NC(=O)C(C)NC(=O)C(CNC(=O)CCOCCOCC[N+](C)(C)C)NC(=O)CCS)C
InChI: InChI=1S/C81H108FN15O15S2/c1-50-38-51(2)40-60(39-50)96-49-59(91-92-96)48-93-47-57(62-45-58(82)19-22-67(62)93)44-65-78(106)94-29-23-68(72(94)77(105)90-71(53(4)98)76(104)89-64(42-55-17-20-61(109-9)21-18-55)79(107)95-28-13-26-81(95,5)80(108)83-27-37-114)112-31-11-10-14-54-15-12-16-56(41-54)43-63(74(102)88-65)87-73(101)52(3)85-75(103)66(86-70(100)25-36-113)46-84-69(99)24-32-110-34-35-111-33-30-97(6,7)8/h10-12,15-22,38-41,45,47,49,52-53,63-66,68,71-72,98H,13-14,23-37,42-44,46,48H2,1-9H3,(H9-,83,84,85,86,87,88,89,90,99,100,101,102,103,104,105,108,113,114)/p+1/b11-10+/t52-,53-,63+,64+,65+,66+,68+,71+,72+,81+/m1/s1
InChIKey: WQYKXIAUKXSSIN-ZPWCAMBLSA-O

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Proprotein convertase subtilisin/kexin type 9 (PCSK9)	TTBRG7E	PCSK9_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Hypercholesterolaemia

ICD Disease Classification

5C80.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Proprotein convertase subtilisin/kexin type 9 (PCSK9)	DTT	PCSK9	4.82E-02	-0.07	-0.3

Molecular Expression Atlas (MEA)

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References

1	ClinicalTrials.gov (NCT05261126) A Phase 2b, Randomized, Double-Blind, Placebo-Controlled Study to Evaluate the Efficacy and Safety of MK-0616 in Adults With Hypercholesterolemia. U.S.National Institutes of Health.
2	Phase 2b Randomized Trial of the Oral PCSK9 Inhibitor MK-0616. J Am Coll Cardiol. 2023 Apr 25;81(16):1553-1564.