varespladib methyl (CHEBI:192805)

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ChEBI Name	varespladib methyl

ChEBI ID	CHEBI:192805

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C22H22N2O5

Net Charge

Average Mass

394.427

Monoisotopic Mass

394.15287

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

SMILES

CCC1=C(C(=O)C(N)=O)C2=C(OCC(=O)OC)C=CC=C2N1CC1=CC=CC=C1

Roles Classification
Biological Role(s):	EC 3.1.1.4 (phospholipase A2) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of phospholipase A2 (EC 3.1.1.4).

Application(s):	prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. anti-inflammatory drug A substance that reduces or suppresses inflammation. antidote Any protective agent counteracting or neutralizing the action of poisons.

ChEBI Ontology
Outgoing	varespladib methyl (CHEBI:192805) has functional parent varespladib (CHEBI:189668) varespladib methyl (CHEBI:192805) has role anti-inflammatory drug (CHEBI:35472) varespladib methyl (CHEBI:192805) has role antidote (CHEBI:50247) varespladib methyl (CHEBI:192805) has role EC 3.1.1.4 (phospholipase A₂) inhibitor (CHEBI:50469) varespladib methyl (CHEBI:192805) has role prodrug (CHEBI:50266) varespladib methyl (CHEBI:192805) is a aromatic ether (CHEBI:35618) varespladib methyl (CHEBI:192805) is a benzenes (CHEBI:22712) varespladib methyl (CHEBI:192805) is a indoles (CHEBI:24828) varespladib methyl (CHEBI:192805) is a methyl ester (CHEBI:25248) varespladib methyl (CHEBI:192805) is a primary carboxamide (CHEBI:140324)

IUPAC Name

methyl ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetate

Registry Number	Type	Source
172733-08-3	CAS Registry Number	ChemIDplus

Last Modified

04 August 2022