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CHEBI:759876 - crelosidenib

Default Structure
ChEBI IDCHEBI:759876
ChEBI Namecrelosidenib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H36N6O3
Net Charge0
Average Mass504.635
Monoisotopic Mass504.28489
SMILESC=CC(=O)N1CCN([C@@H](CC2CC2)c2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1
InChIInChI=1S/C28H36N6O3/c1-4-25(35)33-14-12-32(13-15-33)24(16-20-6-7-20)22-10-8-21(9-11-22)19(3)30-27-29-17-23-18-37-28(36)34(5-2)26(23)31-27/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31)/t19-,24-/m0/s1
InChIKeyAFGYODUJVVOZAX-CYFREDJKSA-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)
crelosidenib (CHEBI:759876) has role antineoplastic agent (CHEBI:35610)
crelosidenib (CHEBI:759876) is a secondary amine (CHEBI:32863)
INN  Source
crelosidenibWHO MedNet
Synonyms  Source
LSN-3856920ChEMBL
LSN3856920ChEMBL
Ly 3410738ChEMBL
LY-3410738ChEMBL
LY3410738ChEMBL