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CHEBI:760303 - crelosidenib gentisate

Default Structure
ChEBI IDCHEBI:760303
ChEBI Namecrelosidenib gentisate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC7H6O4.C28H36N6O3.C7H6O4
Net Charge0
Average Mass812.877
Monoisotopic Mass812.33811
SMILESC=CC(=O)N1CCN([C@@H](CC2CC2)c2ccc([C@H](C)Nc3ncc4c(n3)N(CC)C(=O)OC4)cc2)CC1.O=C(O)c1cc(O)ccc1O.O=C(O)c1cc(O)ccc1O
InChIInChI=1S/C28H36N6O3.2C7H6O4/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;2*8-4-1-2-6(9)5(3-4)7(10)11/h4,8-11,17,19-20,24H,1,5-7,12-16,18H2,2-3H3,(H,29,30,31);2*1-3,8-9H,(H,10,11)/t19-,24-;;/m0../s1
InChIKeyXQWBGFYMSJJBDD-JVVPNVHDSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
crelosidenib gentisate (CHEBI:760303) has functional parent salicylic acid (CHEBI:16914)
crelosidenib gentisate (CHEBI:760303) has role antineoplastic agent (CHEBI:35610)
crelosidenib gentisate (CHEBI:760303) is a hydroxybenzoic acid (CHEBI:24676)
Synonyms  Source
Crelosidenib gentisateChEMBL
LSN-3856920 DIGENTISATEChEMBL
LSN3856920 DIGENTISATEChEMBL
LY3410738-digentisateChEMBL
LY-3410738 DIGENTISATEChEMBL
LY3410738 DIGENTISATEChEMBL