Molecule Details
| InChIKey | DHZBEENLJMYSHQ-XCVPVQRUSA-N |
|---|---|
| Compound Name | Cantharidin |
| Canonical SMILES | C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Unknown |
| Avg pChEMBL | 6.71 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12328 |
|---|---|
| Drug Name | Cantharidin |
| CAS Number | 56-25-7 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | Cantharidin is a naturally occurring odorless, colorless fatty substance of the terpenoid class that is produced as an oral fluid in the alimentary canal of the male blister beetle.[A32891, A32892] For its natural purpose, the male blister beetle secretes and presents the cantharidin to a female bee... |
Categories: Benzofurans Compounds used in a research, industrial, or household setting Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Irritants Noxae Toxic Actions
Cross-references: BindingDB: 50090505 ChEBI: 64213 CHEMBL48449 ChemSpider: 5731 Drugs Product Database (DPD): 4322 C16778 PubChem:5944 PubChem:347828590 RxCUI: 1984 Wikipedia: Cantharidin ZINC: ZINC000017611186
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O00743 | PPP6C | Homo sapiens | Human | PF00149 | 8.1 | IC50 | BindingDB |
| P67775 | PPP2CA | Homo sapiens | Human | PF00149 | 6.8 | IC50 | ChEMBL |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.6 | IC50 | BindingDB |
| O75688 | PPM1B | Homo sapiens | Human | PF00481 PF07830 | 6.4 | IC50 | ChEMBL;BindingDB |
| P48307 | TFPI2 | Homo sapiens | Human | PF00014 | 6.3 | IC50 | ChEMBL |
| P53041 | PPP5C | Homo sapiens | Human | PF00149 PF08321 PF00515 | 6.2 | IC50 | ChEMBL;BindingDB |
| P03206 | Epstein-Barr virus (strain B95-8) | Pathogen | — | 6.6 | IC50 | BindingDB |