CHEBI:63605 - ixabepilone

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ChEBI Name ixabepilone ChEBI ID CHEBI:63605 Definition A macrocycle that is a lactam analogue of epothilone B. Binds directly to beta-tubulin subunits on microtubules, leading to suppression of microtubule dynamics. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anonymous Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C27H42N2O5S Net Charge 0 Average Mass 506.69800 Monoisotopic Mass 506.28144 InChI InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 InChIKey FABUFPQFXZVHFB-PVYNADRNSA-N SMILES [H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\c1csc(C)n1 Roles Classification Biological Role(s): microtubule-destabilising agent Any substance that interacts with tubulin to inhibit polymerisation of microtubules. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing ixabepilone (CHEBI:63605) has role antineoplastic agent (CHEBI:35610) ixabepilone (CHEBI:63605) has role microtubule-destabilising agent (CHEBI:61951) ixabepilone (CHEBI:63605) is a β-hydroxy ketone (CHEBI:55380) ixabepilone (CHEBI:63605) is a 1,3-thiazoles (CHEBI:38418) ixabepilone (CHEBI:63605) is a epoxide (CHEBI:32955) ixabepilone (CHEBI:63605) is a lactam (CHEBI:24995) ixabepilone (CHEBI:63605) is a macrocycle (CHEBI:51026) INN Source ixabepilone KEGG DRUG Synonyms Sources Aza-epothilone B DrugBank Azaepothilone B DrugBank BMS-247550 DrugBank Manual Xrefs Databases 1517 DrugCentral D04645 KEGG DRUG DB04845 DrugBank Ixabepilone Wikipedia View more database links Registry Numbers Types Sources 219989-84-1 CAS Registry Number KEGG DRUG 219989-84-1 CAS Registry Number ChemIDplus 8811748 Reaxys Registry Number Reaxys Citations Types Sources 20215481 PubMed citation Europe PMC 20978949 PubMed citation Europe PMC 21128114 PubMed citation Europe PMC 21262849 PubMed citation Europe PMC 21463144 PubMed citation Europe PMC 21494397 PubMed citation Europe PMC 21554041 PubMed citation Europe PMC 21585248 PubMed citation Europe PMC 21598243 PubMed citation Europe PMC 21665133 PubMed citation Europe PMC 21789152 PubMed citation Europe PMC 21937232 PubMed citation Europe PMC 22098334 PubMed citation Europe PMC 22115851 PubMed citation Europe PMC 22133291 PubMed citation Europe PMC Last Modified 22 February 2017