Details of the Drug

General Information of Drug (ID: DMLIMEA)

Drug Name

Varespladib methyl

Synonyms

A-002; LY-333013; S-3013; Varespladib methyl (oral formulation, coronary artery disease); PLA2 inhibitors (inflammation), Lilly/Shionogi; Varespladib (oral formulation, coronary artery disease), Anthera; Varespladib methyl (oral formulation, coronary artery disease), Anthera

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

394.4

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H22N2O5
IUPAC Name: methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate
Canonical SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)OC)C(=O)C(=O)N
InChI: InChI=1S/C22H22N2O5/c1-3-15-20(21(26)22(23)27)19-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(19)29-13-18(25)28-2/h4-11H,3,12-13H2,1-2H3,(H2,23,27)
InChIKey: VJYDOJXJUCJUHL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9886917
CAS Number: 172733-08-3
DrugBank ID: DB05737
TTD ID: D07KFB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Secretory phospholipase A2 (sPLA2)	TT2XHSJ	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT01130246) VISTA-16 Trial: Evaluation of Safety and Efficacy of Short-term A-002 Treatment in Subjects With Acute Coronary Syndrome. U.S. National Institutes of Health.
2	Varespladib. Am J Cardiovasc Drugs. 2011;11(2):137-43.