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CHEBI:51052 - lucanthone
| Formula | C20H24N2OS |
| Net Charge | 0 |
| Average Mass | 340.492 |
| Monoisotopic Mass | 340.16093 |
| SMILES | CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12 |
| InChI | InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3 |
| InChIKey | FBQPGGIHOFZRGH-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | EC 5.99.1.2 (DNA topoisomerase) inhibitor A topoisomerase inhibitor that inhibits the bacterial enzymes of the DNA topoisomerases, Type I class (EC 5.99.1.2) that catalyze ATP-independent breakage of one of the two strands of DNA, passage of the unbroken strand through the break, and rejoining of the broken strand. These bacterial enzymes reduce the topological stress in the DNA structure by relaxing negatively, but not positively, supercoiled DNA. EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor A topoisomerase inhibitor that inhibits DNA topoisomerase (ATP-hydrolysing), EC 5.99.1.3 (also known as topoisomerase II and as DNA gyrase), which catalyses ATP-dependent breakage of both strands of DNA, passage of the unbroken strands through the breaks, and rejoining of the broken strands. mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. |
| Applications: | adjuvant Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. photosensitizing agent A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells. schistosomicide drug Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lucanthone (CHEBI:51052) has role adjuvant (CHEBI:60809) |
| lucanthone (CHEBI:51052) has role antineoplastic agent (CHEBI:35610) |
| lucanthone (CHEBI:51052) has role EC 5.99.1.2 (DNA topoisomerase) inhibitor (CHEBI:50276) |
| lucanthone (CHEBI:51052) has role EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor (CHEBI:50750) |
| lucanthone (CHEBI:51052) has role mutagen (CHEBI:25435) |
| lucanthone (CHEBI:51052) has role photosensitizing agent (CHEBI:47868) |
| lucanthone (CHEBI:51052) has role prodrug (CHEBI:50266) |
| lucanthone (CHEBI:51052) has role schistosomicide drug (CHEBI:38941) |
| lucanthone (CHEBI:51052) is a thioxanthenes (CHEBI:50930) |
| Incoming Relation(s) |
| hycanthone (CHEBI:52768) has functional parent lucanthone (CHEBI:51052) |
| IUPAC Name |
|---|
| 1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one |
| INNs | Source |
|---|---|
| lucanthonum | ChemIDplus |
| lucantona | ChemIDplus |
| lucanthone | ChemIDplus |
| lucanthone | WHO MedNet |
| Synonyms | Source |
|---|---|
| Lucanthone | KEGG COMPOUND |
| 1-((2-(diethylamino)ethyl)amino)-4-methylthioxanthen-9-one | ChemIDplus |
| 1-diethylaminoethylethylamino-4-methyl-thioxanthenone | ChEBI |
| 1-{[2-(diethylamino)ethyl]amino}-4-methylthioxanthen-9-one | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C11715 | KEGG COMPOUND |
| DB04967 | DrugBank |
| Lucanthone | Wikipedia |
| HMDB0015607 | HMDB |
| 1616 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:312369 | Reaxys |
| CAS:479-50-5 | KEGG COMPOUND |
| CAS:479-50-5 | ChemIDplus |
| Citations |
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