Repositioning Candidate Details
| Candidate ID: | R1597 |
| Source ID: | DB16447 |
| Source Type: | investigational |
| Compound Type: | small molecule |
| Compound Name: | Thymoquinone |
| Synonyms: | 2-Isopropyl-5-methyl-p-benzoquinone; p-Cymene-2,5-dione; p-Mentha-3,6-diene-2,5-dione; Thymoquinon |
| Molecular Formula: | C10H12O2 |
| SMILES: | CC(C)C1=CC(=O)C(C)=CC1=O |
| Structure: |
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| DrugBank Description: | Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. |
| CAS Number: | 490-91-5 |
| Molecular Weight: | 164.204 |
| DrugBank Indication: | -- |
| DrugBank Pharmacology: | -- |
| DrugBank MoA: | Thymoquinone is a natural compound with widespread protective effects, including anti-oxidative, anti-inflammatory, immunomodulatory, anti-cancer, and anti-microbial. It is able to induce apoptosis, regulate pro- and anti- apopotitic genes, and inhibit cancer metastasis through JNK and p38 activation. Its anti-inflammatory effects are attributed to its inhibition of inflammatory cytokines and processes, including pathways associated with 5-LO, COX, and PGD2. |
| Targets: | -- |
| Inclusion Criteria: | Therapeutic strategy associated |
| Strategy ID | Strategy | Synonyms | Related Targets | Related Drugs | |
|---|---|---|---|---|---|
| S13 | Anti-apoptosis | hepatocyte apoptosis; hepatic autophagy; apoptosis | Pan-caspase inhibitor | Emricasan | Details |
| S05 | Anti-inflammatory | inflammatory | Bile acid; TNF-a inhibitor; Dual PPAR-α and -δ agonists; Toll-Like Receptor; (TLR)-4 antagonist; Caspase inhibitor; ASK-1 inhibitor | Ursodeoxycholic Acid; Pentoxifylline; Elafibranor; JKB-121; Emricasan; Selonsertib; | Details |
| Target ID | Target Name | GENE | Action | Class | UniProtKB ID | Entry Name |
|---|
| Diseases ID | DO ID | Disease Name | Definition | Class |
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