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CHEBI:758680 - edecesertib

Default Structure
ChEBI IDCHEBI:758680
ChEBI Nameedecesertib
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H22FN7O2
Net Charge0
Average Mass435.463
Monoisotopic Mass435.18190
SMILESC[C@H](C#N)Nc1cc(-c2ccc3cc(C#N)cnn23)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C22H22FN7O2/c1-13(8-24)29-17-7-18(19-5-4-15-6-14(9-25)10-28-30(15)19)26-11-16(17)21(31)27-12-20(23)22(2,3)32/h4-7,10-11,13,20,32H,12H2,1-3H3,(H,26,29)(H,27,31)/t13-,20-/m1/s1
InChIKeyHORBHQPSWJRDSV-ZUOKHONESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
edecesertib (CHEBI:758680) has role anti-inflammatory agent (CHEBI:67079)
edecesertib (CHEBI:758680) is a aromatic carboxylic acid (CHEBI:33859)
edecesertib (CHEBI:758680) is a pyridinemonocarboxylic acid (CHEBI:26420)
INN  Source
edecesertibWHO MedNet