EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:757012 - glasdegib maleate

Default Structure
ChEBI IDCHEBI:757012
ChEBI Nameglasdegib maleate
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H4O4.C21H22N6O
Net Charge0
Average Mass490.520
Monoisotopic Mass490.19647
SMILESCN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2n1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C21H22N6O.C4H4O4/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20;5-3(6)1-2-4(7)8/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,19-;/m1./s1
InChIKeyVJCVKWFBWAVYOC-UIXXXISESA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
glasdegib maleate (CHEBI:757012) has role antineoplastic agent (CHEBI:35610)
glasdegib maleate (CHEBI:757012) is a ureas (CHEBI:47857)
Synonyms  Source
Glasdegib maleateChEMBL
PF-04449913 MALEATEChEMBL