Chemical Component Summary | |
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Name | IDARUBICIN |
Synonyms | 4-DEMETHOXY-DAUNORUBICIN |
Identifiers | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-9-ethanoyl-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione |
Formula | C26 H27 N O9 |
Molecular Weight | 497.494 |
Type | NON-POLYMER |
Isomeric SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O |
InChI | InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1 |
InChIKey | XDXDZDZNSLXDNA-TZNDIEGXSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 63 |
Chiral Atom Count | 6 |
Bond Count | 67 |
Aromatic Bond Count | 12 |
Drug Info: DrugBank
DrugBank ID | DB01177 |
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Name | Idarubicin |
Groups | approved |
Description | An orally administered anthracycline antineoplastic. The compound has shown activity against breast cancer, lymphomas and leukemias, together with the potential for reduced cardiac toxicity. |
Synonyms |
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Brand Names |
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Indication | For the treatment of acute myeloid leukemia (AML) in adults. This includes French-American-British (FAB) classifications M1 through M7. |
Categories |
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ATC-Code | L01DB06 |
CAS number | 58957-92-9 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
---|---|---|---|
DNA | - | unknown | intercalation |
DNA topoisomerase 2-alpha | MEVSPLQPVNENMQVNKIKKNEDAKKRLSVERIYQKKTQLEHILLRPDTY... | unknown | inhibitor |
Cytochrome P450 2C9 | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDI... | unknown | substrate |
Cytochrome P450 2D6 | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVD... | unknown | substrate |
Multidrug resistance-associated protein 1 | MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF... | unknown | inhibitor |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL1117 |
PubChem | 42890 |
ChEMBL | CHEMBL1117 |
ChEBI | CHEBI:42068 |
CCDC/CSD | OJUWOI |