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CHEBI:575568 - atovaquone
| Formula | C22H19ClO3 |
| Net Charge | 0 |
| Average Mass | 366.844 |
| Monoisotopic Mass | 366.10227 |
| SMILES | O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 |
| InChI | InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15- |
| InChIKey | KUCQYCKVKVOKAY-CTYIDZIISA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | EC 1.10.2.2 (quinol--cytochrome-c reductase) inhibitor An EC 1.10.2.* (oxidoreductase acting on diphenols and related substances as donors with a cytochrome as acceptor) inhibitor that interferes with the action of quinol—cytochrome-c reductase (EC 1.10.2.2). antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H+-translocating), EC 1.6.5.3. EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor An EC 1.3.5.* (oxidoreductase acting on CH-CH of donor with a quinone or related compound as acceptor) inhibitor that interferes with the action of dihydroorotate dehydrogenase (quinone), EC 1.3.5.2. |
| Application: | antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| atovaquone (CHEBI:575568) has role antiamoebic agent (CHEBI:171664) |
| atovaquone (CHEBI:575568) has role antifungal agent (CHEBI:35718) |
| atovaquone (CHEBI:575568) has role antiinfective agent (CHEBI:35441) |
| atovaquone (CHEBI:575568) has role antimalarial (CHEBI:38068) |
| atovaquone (CHEBI:575568) has role antineoplastic agent (CHEBI:35610) |
| atovaquone (CHEBI:575568) has role antiparasitic agent (CHEBI:35442) |
| atovaquone (CHEBI:575568) has role antiviral agent (CHEBI:22587) |
| atovaquone (CHEBI:575568) has role EC 1.10.2.2 (quinol—cytochrome-c reductase) inhibitor (CHEBI:77106) |
| atovaquone (CHEBI:575568) has role EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor (CHEBI:77103) |
| atovaquone (CHEBI:575568) has role EC 1.6.5.3 [NADH:ubiquinone reductase (H+-translocating)] inhibitor (CHEBI:38503) |
| atovaquone (CHEBI:575568) is a hydroxy-1,4-naphthoquinone (CHEBI:132157) |
| atovaquone (CHEBI:575568) is a monochlorobenzenes (CHEBI:83403) |
| atovaquone (CHEBI:575568) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthoquinone |
| INNs | Source |
|---|---|
| atovacuona | WHO MedNet |
| atovaquone | KEGG DRUG |
| Synonyms | Source |
|---|---|
| 2-(trans-4-(p-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone | ChemIDplus |
| 566C | ChEMBL |
| Acuvel | KEGG COMPOUND |
| Mepron | KEGG COMPOUND |
| NSC-759582 | ChEMBL |
| Wellvone | KEGG COMPOUND |
| Brand Names | Source |
|---|---|
| Atovaquone component of malarone | ChEMBL |
| Atovaquone component of malarone pediatric | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8076827 | Beilstein |
| CAS:95233-18-4 | KEGG DRUG |
| CAS:95233-18-4 | KEGG COMPOUND |
| CAS:95233-18-4 | ChemIDplus |
| CAS:95233-18-4 | DrugBank |
| Citations |
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