EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:758233 - nendratareotide uzatansine

Default Structure
ChEBI IDCHEBI:758233
ChEBI Namenendratareotide uzatansine
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC83H109ClN14O20S4
Net Charge0
Average Mass1786.584
Monoisotopic Mass1784.65139
SMILES[H][C@@]12O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc3ccccc3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](Cc3cnc4ccccc34)C(=O)N[C@@H](CCCCN)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N1)C(N)=O)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]1(O)C[C@]([H])(OC(=O)N1)[C@H]2C
InChIInChI=1S/C83H109ClN14O20S4/c1-44-18-17-24-65(115-9)83(113)39-64(116-81(112)96-83)45(2)71-82(5,118-71)66(38-68(102)98(7)62-35-50(32-44)36-63(114-8)69(62)84)117-80(111)46(3)97(6)67(101)29-31-119-120-41-59(72(87)103)92-78(109)61-43-122-121-42-60(93-73(104)54(86)33-48-19-11-10-12-20-48)77(108)90-57(34-49-25-27-52(100)28-26-49)75(106)91-58(37-51-40-88-55-22-14-13-21-53(51)55)76(107)89-56(23-15-16-30-85)74(105)95-70(47(4)99)79(110)94-61/h10-14,17-22,24-28,35-36,40,45-47,54,56-61,64-66,70-71,88,99-100,113H,15-16,23,29-34,37-39,41-43,85-86H2,1-9H3,(H2,87,103)(H,89,107)(H,90,108)(H,91,106)(H,92,109)(H,93,104)(H,94,110)(H,95,105)(H,96,112)/b24-17+,44-18+/t45-,46+,47-,54-,56+,57+,58-,59+,60+,61+,64+,65-,66+,70+,71+,82+,83+/m1/s1
InChIKeyJVPMJFUBODFGNB-UFDFPQQFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
nendratareotide uzatansine (CHEBI:758233) has role antineoplastic agent (CHEBI:35610)
nendratareotide uzatansine (CHEBI:758233) is a polypeptide (CHEBI:15841)
INN  Source
nendratareotide uzatansineWHO MedNet
Synonym  Source
Pen-221ChEMBL