Varespladib methyl
methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate
Molecular Identity
Varespladib methyl
methyl 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetate
PubChem CID: 9886917
Varespladib methyl is a methyl ester resulting from the formal condensation of the carboxy group of varespladib with methanol. It is a potential therapy for the treatment of snakebite envenomings in which toxicity depends on the action of PLA2s. It has a role as an anti-inflammatory drug, an antidote, a prodrug and an EC 3.1.1.4 (phospholipase A2) inhibitor. It is a primary carboxamide, a member of benzenes, a member of indoles, a methyl ester and an aromatic ether. It is functionally related to a varespladib.
2D Structure
Properties
C22H22N2O5
Molecular Formula
394.40
Molecular Weight
g/mol
394.1529
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
604
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Varespladib methyl172733-08-3S-3013Varespladib methyl esterLY-333013LY3330130NB98NBX3Ds3013methyl ((3-(aminooxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)acetateRefChem:901729methyl 2-((1-benzyl-3-(carbamoylcarbonyl)-2-ethyl-1H-indol-4-yl)oxy)acetateMethyl 2-((3-(2-amino-2-oxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl)oxy)acetateVarespladib methyl [USAN]UNII-0NB98NBX3DLY 333013
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Varespladib methyl
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