Varespladib
2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid
Molecular Identity
Varespladib
2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid
PubChem CID: 155815
Varespladib is a member of the class of indoles that is 1H-indole substituted by benzyl, ethyl, oxamoyl, and carboxymethoxy groups at positions 1, 2, 3, and 4, respectively. It is an oral secretory phospholipase A2 inhibitor and exhibits anti-inflammatory effects. It has a role as an anti-inflammatory drug, an antidote and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a primary carboxamide, a member of benzenes, a member of indoles, a monocarboxylic acid, an aromatic ether and a dicarboxylic acid monoamide. It is a conjugate acid of a varespladib(1-).
2D Structure
Properties
C21H20N2O5
Molecular Formula
380.40
Molecular Weight
g/mol
380.1372
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
589
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)NIsomeric SMILES
SMILES: CCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC=C2OCC(=O)O)C(=O)C(=O)NSynonyms(20)
Varespladib172732-68-2LY315920LY-315920VAREPLADIBvarespladibum2Q3P98DATH2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acidS-5920DTXSID50169378({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acidA-001CHEBI:1896682-{[1-benzyl-3-(carbamoylcarbonyl)-2-ethyl-1H-indol-4-yl]oxy}acetic acid((3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)acetate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Varespladib
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