Varespladib

Chemical Information
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-).
| CAS Number | 172732-68-2 |
| PubChem CID | 155815 |
| IUPAC Name | 2-(1-benzyl-2-ethyl-3-oxamoylindol-4-yl)oxyacetic acid |
| Molecular Formula | C21H20N2O5 |
| Molecular Weight | 380.4 |
| XLogP | 2.8 |
| Topological Polar Surface Area | 112 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 589 |
| Property | Value |
|---|---|
| Molecular Weight | 380.4 |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 380.13722174 |
| Monoisotopic Mass | 380.13722174 |
| Topological Polar Surface Area | 112 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 589 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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