Details of the Drug

General Information of Drug (ID: DM5DSGJ)

Drug Name

MD-0727

Indication

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

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

193.2

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H11NO3
IUPAC Name: ethyl 6-acetylpyridine-2-carboxylate
Canonical SMILES: CCOC(=O)C1=CC=CC(=N1)C(=O)C
InChI: InChI=1S/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3
InChIKey: COYXIUHSZNHMAS-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholesterol absorption (Chole absorp)	TTNA5ZS	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00404001) Study of Oral MD-0727 Administered to Patients With Primary Hypercholesterolemia. U.S. National Institutes of Health.
2	Th-P16:297 Early clinical characterization of MD-0727, a novel cholesterol absorption inhibitor, in healthy subjects. Atherosclerosis Supplements Volume 7, Issue 3, 2006, Pages 558-559.