Chemical Component Summary | |
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Name | EPOTHILONE D |
Identifiers | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione |
Formula | C27 H41 N O5 S |
Molecular Weight | 491.683 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C |
InChI | InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1 |
InChIKey | XOZIUKBZLSUILX-GIQCAXHBSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 75 |
Chiral Atom Count | 5 |
Bond Count | 76 |
Aromatic Bond Count | 5 |
Drug Info: DrugBank
DrugBank ID | DB01873 |
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Name | Epothilone D |
Groups | investigational |
Synonyms |
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Indication | Investigated for use/treatment in colorectal cancer, lung cancer, breast cancer, solid tumors, and prostate cancer. |
Categories |
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CAS number | 189453-10-9 |
Drug Targets
Name | Target Sequence | Pharmacological Action | Actions |
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Tubulin alpha 3C/D chain | MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN... | unknown | |
Tubulin beta chain | MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLDRISVY... | unknown | |
Tubulin beta-1 chain | MREIVHIQIGQCGNQIGAKFWEMIGEEHGIDLAGSDRGASALQLERISVY... | unknown | |
Tubulin beta-4B chain | MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVY... | unknown | |
Tubulin beta-4A chain | MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVY... | unknown | |
View More |
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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PubChem | 447865 |
ChEMBL | CHEMBL96172 |
ChEBI | CHEBI:29579 |