Molecule Details
| InChIKey | QNDVLZJODHBUFM-WFXQOWMNSA-N |
|---|---|
| Compound Name | Okadaic Acid |
| Canonical SMILES | C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02169 |
|---|---|
| Drug Name | 9,10-Deepithio-9,10-Didehydroacanthifolicin |
| CAS Number | 78111-17-8 |
| Groups | experimental |
| ATC Codes | nan |
| Description | A specific inhibitor of phosphoserine/threonine protein phosphatase 1 and 2a. It is also a potent tumor promoter. (Thromb Res 1992;67(4):345-54 & Cancer Res 1993;53(2):239-41) |
Cross-references: BindingDB: 50110676 ChEBI: 44658 CHEMBL280487 ChemSpider: 393845 C01945 PDB: OKA PubChem:446512 PubChem:46504468 ZINC: ZINC000085601542
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q15172 | PPP2R5A | Homo sapiens | Human | PF01603 | 10.2 | IC50 | ChEMBL;BindingDB |
| P18031 | PTPN1 | Homo sapiens | Human | PF00102 | 8.5 | IC50 | ChEMBL;BindingDB |
| P48307 | TFPI2 | Homo sapiens | Human | PF00014 | 8.5 | IC50 | ChEMBL |
| P67775 | PPP2CA | Homo sapiens | Human | PF00149 | 8.2 | IC50 | ChEMBL;BindingDB |
| P50391 | NPY4R | Homo sapiens | Human | PF00001 | 8.0 | IC50 | ChEMBL |
| P36873 | PPP1CC | Homo sapiens | Human | PF00149 PF16891 | 7.3 | IC50 | ChEMBL;BindingDB |
| O75688 | PPM1B | Homo sapiens | Human | PF00481 PF07830 | 6.9 | IC50 | ChEMBL;BindingDB |