trabectedin (yondelis) Report issue

Small molecule Orphan Drug FDA Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA MeSH PubChem repoDB

Back

Chemistry

Mol. Mass

761.837

ALogP

3.41

Rule of 5

No

Rule of 3

No
Details
  • SMILES: [H][C@@]12[C@@H]3SC[C@]4(NCCC5=C4C=C(OC)C(O)=C5)C(=O)OC[C@H](N1[C@@H](O)[C@@H]6CC7=C([C@H]2N6C)C(O)=C(OC)C(C)=C7)C8=C9OCOC9=C(C)C(OC(C)=O)=C38
  • InChIKey: PKVRCIRHQMSYJX-AIFWHQITSA-N
    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
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1224207   ChEMBL
trabectedin

ID0YZQ2TCP   NCATS
trabectedin *

Trabectedin   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue