Details of the Drug

General Information of Drug (ID: DMDLGRO)

Drug Name

Aramchol

Synonyms

Stearoyl CoA desaturase-1 inhibitor (oral, liver/lipid metabolism diseases), Galmed

Indication

Disease Entry	ICD 11	Status	REF
Lipid metabolism disorder	5C52.Z	Phase 2/3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

702.1

Logarithm of the Partition Coefficient (xlogp)

13.1

Rotatable Bond Count (rotbonds)

23

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C44H79NO5
IUPAC Name: (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-3-(icosanoylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Canonical SMILES: CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C
InChI: InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1
InChIKey: SHKXZIQNFMOPBS-OOMQYRRCSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Lipid metabolism disorder

ICD Disease Classification

5C52.Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Acyl-CoA desaturase (SCD)	DTT	SCD	4.73E-01	0.2	0.54

Molecular Expression Atlas (MEA)

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References

1	ClinicalTrials.gov (NCT02279524) A Clinical Trial to Evaluate the Efficacy and Safety of Two Aramchol Doses Versus Placebo in Patients With NASH. U.S. National Institutes of Health.
2	The fatty acid-bile acid conjugate Aramchol reduces liver fat content in patients with nonalcoholic fatty liver disease. Clin Gastroenterol Hepatol. 2014 Dec;12(12):2085-91.e1.