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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/CHEBI_63605
http://purl.obolibrary.org/obo/CHEBI_63605
|
|---|---|
| Preferred Name | ixabepilone |
| Synonyms |
Aza-epothilone B
Azaepothilone B
ixabepilone
BMS-247550
(1S,3S,7R,10S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
C27H42N2O5S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | ixabepilone
|
|---|---|
| label | ixabepilone
|
| DBSynonym |
bms-247550
aza-epothilone b
azaepothilone b
|
| ATCCode | L01DC04
|
| 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.
|
| has effect |
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|
| has pharmacological target | |
| inhibits | |
| type | |
| has role | |
| InChIKey |
InChIKey=FABUFPQFXZVHFB-CFWQTKTJSA-N
InChIKey=FABUFPQFXZVHFB-PVYNADRNSA-N
|
| is metabolised by | |
| Synonym | Aza-epothilone B
Azaepothilone B
ixabepilone
BMS-247550
(1S,3S,7R,10S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione
C27H42N2O5S
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|
| xref |
CiteXplore:21789152
CiteXplore:21554041
CiteXplore:20978949
Reaxys:8811748
KEGG DRUG:D04645
CiteXplore:21463144
Wikipedia:http://en.wikipedia.org/wiki/Ixabepilone
Wikipedia:Ixabepilone
CiteXplore:20215481
CiteXplore:21665133
ChemSpider:4949236
CiteXplore:22133291
CiteXplore:22098334
PubChem Compound:23305354
CiteXplore:21128114
PharmGKB:PA165958343
PubChem Substance:99443224
CiteXplore:22115851
CiteXplore:21598243
CiteXplore:21494397
DrugBank:DB04845
CiteXplore:21262849
CiteXplore:21585248
CASRN:219989-84-1
ChEMBL:775703
CiteXplore:21937232
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|
| CASRN | 219989-84-1
|
| prefixIRI | obo2:CHEBI_63605
|
| SMILES | C[C@H]1CCC[C@@]2(C)O[C@@]2([H])C[C@H](NC(=O)C[C@@H](O)C(C)(C)C(=O)[C@@H](C)[C@H]1O)C(\C)=C\C1=CSC(C)=N1
[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
|
| DBname | ixabepilone
|
| 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
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
|
| DBBrand | ixempra
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |