Molecule Details
| InChIKey | DAPAQENNNINUPW-IDAMAFBJSA-N |
|---|---|
| Compound Name | Rocaglamide |
| Canonical SMILES | COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15495 |
|---|---|
| Drug Name | Rocaglamide |
| CAS Number | 84573-16-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Rocaglamide, also referred to as rocaglamide-A, is the eponymous member of a class of anti-cancer phytochemicals known as rocaglamides.[A186760] Rocaglamides are secondary metabolites of the plant genus _Aglaia_, and extracts of the plant have traditionally been used as a form of insect repellant du... |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50196926 ChEBI: 66309 CHEMBL438139 ChemSpider: 293974 PDB: RCG Wikipedia: Rocaglamide ZINC: ZINC000005664046
Target Activities (3)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P19838 | NFKB1 | Nuclear factor NF-kappa-B p105 subunit | inhibitor | targets |
| P35232 | P35232 | Prohibitin 1 | inhibitor | targets |
| Q00653 | NFKB2 | Nuclear factor NF-kappa-B p100 subunit | inhibitor | targets |
| Q01201 | Q01201 | Transcription factor RelB | inhibitor | targets |
| Q04206 | RELA | Transcription factor p65 | inhibitor | targets |
| Q04864 | Q04864 | Proto-oncogene c-Rel | inhibitor | targets |
| Q99623 | PHB2 | Prohibitin-2 | inhibitor | targets |