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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB05109
http://purl.obolibrary.org/obo/dinto_DB05109
|
|---|---|
| Preferred Name | trabectedin |
| Synonyms |
(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate
C39H43N3O11S
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| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | trabectedin
|
|---|---|
| label | trabectedin
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| DBSynonym |
nsc 684766
et-743
ecteinascidin 743
et743
ecteinascidin
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| ATCCode | L01CX01
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| Definition | Trabectedin, also referred as ET-743 during its development, is a marine derived antitumoral agent discovered in the Carribean tunicate _Ecteinascidia turbinata_ and now produced synthetically. Trabectedin has a unique mechanism of action. It binds to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery. It is approved for use in Europe, Russia and South Korea for the treatment of advanced soft tissue sarcoma refractory to or unsuitable to receive anthracycline or ifosfamide chemotherapy.
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| has pharmacological target | |
| type | |
| binds | |
| InChIKey | InChIKey=PKVRCIRHQMSYJX-AIFWHQITSA-N
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| is metabolised by | |
| Synonym | (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate
C39H43N3O11S
|
| xref |
PubChem Substance:99443229
PubChem Compound:108150
PharmGKB:PA165958349
ChemSpider:97236
Wikipedia:http://en.wikipedia.org/wiki/Trabectedin
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| CASRN | 114899-77-3
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| prefixIRI | obo2:dinto_DB05109
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| SMILES | [H][C@@]12CC3=C(C(O)=C(OC)C(C)=C3)[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])C1=C(OC(C)=O)C(C)=C4OCOC4=C21)NCCC1=CC(O)=C(OC)C=C31
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| InChI | InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
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| DBBrand | yondelis
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| subClassOf |
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