Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0P0IE
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| Former ID |
DNC001134
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| Drug Name |
Plumbagin
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| Synonyms |
Plumbagin; 481-42-5; Plumbagine; 5-Hydroxy-2-methyl-1,4-naphthoquinone; Plumbaein; Plumbagone; 2-Methyljuglone; 5-hydroxy-2-methylnaphthalene-1,4-dione; 5-Hydroxy-2-methyl-1,4-naphthalenedione; 5-Hydroxy-2-methyl-[1,4]naphthoquinone; 1,4-Naphthalenedione, 5-hydroxy-2-methyl-; 2-Methyl-5-hydroxy-1,4-naphthoquinone; UNII-YAS4TBQ4OQ; NSC 688284; NSC 236613; CCRIS 6671; YAS4TBQ4OQ; EINECS 207-569-6; BRN 1870475; AI3-38055; CHEBI:8273; CHEMBL295316; VCMMXZQDRFWYSE-UHFFFAOYSA-N; 1,4-NAPHTHOQUINONE, 5-HYDROXY-2-METHYL-; NSC688284
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C11H8O3
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| Canonical SMILES |
CC1=CC(=O)C2=C(C1=O)C=CC=C2O
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| InChI |
1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
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| InChIKey |
VCMMXZQDRFWYSE-UHFFFAOYSA-N
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| CAS Number |
CAS 481-42-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
12573, 133894, 521949, 603925, 894743, 3137729, 5161447, 8157354, 11406297, 11533356, 14748463, 24898833, 26612765, 26747815, 26747816, 26753709, 29204496, 29228728, 47217413, 47662928, 49759527, 49996654, 50100148, 50107298, 50107299, 51383330, 53790001, 56370727, 57326035, 57389148, 81092960, 85088824, 85789657, 87575243, 87643179, 99214999, 103222017, 103924486, 104322655, 124570932, 124891764, 125371034, 126647787, 129455362, 131315904, 134340370, 134974697, 137006725, 143366855, 143401484
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| ChEBI ID |
CHEBI:8273
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Plasmodium Dihydroorotate dehydrogenase (Malaria DHOdehase) | Target Info | Inhibitor | [2] |
| KEGG Pathway | Pyrimidine metabolism | |||
| Metabolic pathways | ||||
| Pathwhiz Pathway | Pyrimidine Metabolism | |||
| Reactome | Pyrimidine biosynthesis | |||
| WikiPathways | Metabolism of nucleotides | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7003). | |||
| REF 2 | Kinetics of inhibition of human and rat dihydroorotate dehydrogenase by atovaquone, lawsone derivatives, brequinar sodium and polyporic acid. Chem Biol Interact. 2000 Jan 3;124(1):61-76. | |||
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