Molecule Details
| InChIKey | BHLXTPHDSZUFHR-UHFFFAOYSA-N |
|---|---|
| Compound Name | Varespladib |
| Canonical SMILES | CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11909 |
|---|---|
| Drug Name | Varespladib |
| CAS Number | 172732-68-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Varespladib has been investigated for the treatment and prevention of Sickle Cell Disease, Vaso-occlusive Crisis, and Acute Coronary Syndrome. |
Categories: Acids, Acyclic Fatty Acids Fatty Acids, Volatile Heterocyclic Compounds, Fused-Ring Lipids Phospholipase A2 Inhibitors Phospholipases A, antagonists & inhibitors
Cross-references: BindingDB: 50055366 CHEMBL148674 ChemSpider: 137248 PDB: VRD PubChem:155815 PubChem:347828241 Wikipedia: Varespladib ZINC: ZINC000001543773
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14555 | PLA2G2A | Homo sapiens | Human | PF00068 | 7.9 | IC50 | ChEMBL;BindingDB |
| Q9NZK7 | PLA2G2E | Homo sapiens | Human | PF00068 | 7.3 | IC50 | ChEMBL;BindingDB |
| O15496 | PLA2G10 | Homo sapiens | Human | PF00068 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q9UNK4 | PLA2G2D | Homo sapiens | Human | PF00068 | 7.1 | IC50 | ChEMBL;BindingDB |
| Q5R387 | PLA2G2C | Homo sapiens | Human | PF00068 | 6.9 | IC50 | ChEMBL |
| Q9BX93 | PLA2G12B | Homo sapiens | Human | PF06951 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9BZM1 | PLA2G12A | Homo sapiens | Human | PF06951 | 6.9 | IC50 | ChEMBL |
| Q9NZ20 | PLA2G3 | Homo sapiens | Human | PF05826 | 6.9 | IC50 | ChEMBL |
| Q9BZM2 | PLA2G2F | Homo sapiens | Human | PF00068 | 6.9 | IC50 | ChEMBL;BindingDB |
| P04054 | PLA2G1B | Homo sapiens | Human | PF00068 | 6.6 | IC50 | ChEMBL;BindingDB |
| O60733 | PLA2G6 | Homo sapiens | Human | PF00023 PF12796 PF01734 | 6.6 | IC50 | ChEMBL;BindingDB |
| P39877 | PLA2G5 | Homo sapiens | Human | PF00068 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04054 | PLA2G1B | Phospholipase A2 | other/unknown | targets |