MENADIONE (BRD-K78126613)
Overview
- pert_id
- BRD-K78126613
- Name
- menadione
- Collection
- BIOA
- MOA
- mitochondrial DNA polymerase inhibitor, phosphatase inhibitor
- Target(s)
- AOX1, BGLAP, F10, F2, F7, F9, GGCX, NQO1, NQO2, PROC, PROS1, PROZ, VKORC1, VKORC1L1
- Indication(s)
- ulcerative colitis, diarrhea, headache, varicose veins, rheumatoid arthritis
- Phase
- Launched
- Canonical SMILES
- CC1=CC(=O)c2ccccc2C1=O
- InChI key
- InChIKey=MJVAVZPDRWSRRC-UHFFFAOYSA-N
- InChI string
- InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
- Molecular formula
- C11H8O2
- Molecular weight
- 172.18
External links
- PubChem
- 4055
- Wikipedia
- http://en.wikipedia.org/wiki/Menadione
- SEP-L1000
- BRD-K78126613
Predicted MOAs
| MOA | Probability |
|---|---|
| cyclooxygenase inhibitor | 0.2575 |
| estrogen receptor agonist | 0.1204 |
| calcium channel blocker | 0.0879 |
| MEK inhibitor | 0.0674 |
| retinoid receptor agonist | 0.0585 |
| NFkB pathway inhibitor | 0.0403 |
| dopamine receptor antagonist | 0.0301 |
| PARP inhibitor | 0.0260 |
| HDAC inhibitor | 0.0236 |
| PI3K inhibitor | 0.0235 |
Chemical structure
