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CHEBI:746908 - lurbinectedin

ChEBI IDCHEBI:746908
ChEBI Namelurbinectedin
Stars
DefinitionA synthetic tetrahydropyrrolo [4,3,2-de]quinolin-8(1H)-one alkaloid analogue with potential antineoplastic activity.
Last Modified29 October 2025
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC41H44N4O10S
Net Charge0
Average Mass784.888
Monoisotopic Mass784.27781
SMILES[H][C@@]12[C@@H]3SC[C@]4(NCCc5c4nc4ccc(OC)cc54)C(=O)OC[C@@H](c4c5c(c(C)c(OC(C)=O)c43)OCO5)N1[C@@H](O)[C@H]1Cc3cc(C)c(OC)c(O)c3[C@@H]2N1C
InChIInChI=1S/C41H44N4O10S/c1-17-11-20-12-25-39(48)45-26-14-52-40(49)41(38-22(9-10-42-41)23-13-21(50-5)7-8-24(23)43-38)15-56-37(31(45)30(44(25)4)27(20)32(47)33(17)51-6)29-28(26)36-35(53-16-54-36)18(2)34(29)55-19(3)46/h7-8,11,13,25-26,30-31,37,39,42-43,47-48H,9-10,12,14-16H2,1-6H3/t25-,26+,30+,31-,37-,39+,41-/m1/s1
InChIKeyYDDMIZRDDREKEP-LZKMAITKSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lurbinectedin (CHEBI:746908) has role antineoplastic agent (CHEBI:35610)
lurbinectedin (CHEBI:746908) is a isoquinolines (CHEBI:24922)
Synonym  Source
ZepzelcaKEGG DRUG
Manual XrefsDatabases
D11644KEGG DRUG
497871-47-3CAS