trabectedin

CHEBI:CHEBI_84050

Definition

A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer.

Chemical Information

Molecular Formula
C39H43N3O11S
Molecular Mass
761.83700
Charge
0
SMILES
COc1cc2c(CCN[C@]22CS[C@H]3[C@H]4[C@@H]5N(C)[C@@H](Cc6cc(C)c(OC)c(O)c56)[C@H](O)N4[C@@H](COC2=O)c2c4OCOc4c(C)c(OC(C)=O)c32)cc1O
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
InChIKey
PKVRCIRHQMSYJX-AIFWHQITSA-N

Alternative Names

  • Ect 743
  • Ecteinascidin
  • Ecteinascidin 743
  • ET-743
  • ET743
  • trabectedin
  • Yondelis
  • (6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquinolino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate

Treatment Applications

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

DRON_00010000
1716278
oboInOwl#hasDbXref
Wikipedia:Trabectedin
core#notation
CHEBI:84050

Additional References

Wikipedia:Trabectedin

🔍 Click on any linked disease name to learn more about the conditions this medication is used to treat, or explore related drug classifications for more information about similar medications.

Additional Attributes

has_treatment
http://purl.obolibrary.org/obo/DOID_4548
oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
1716278
oboInOwl#hasDbXref
Wikipedia:Trabectedin
oboInOwl#id
CHEBI:84050
core#notation
CHEBI:84050
RO_0000087
http://purl.obolibrary.org/obo/CHEBI_22333
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
rdf-schema#range
https://w3id.org/def/predibionto#has_drug_113092
rdf-schema#domain
https://w3id.org/def/predibionto#has_side_effect36609
owl#annotatedSource
t307591
owl#someValuesFrom
t2990712