EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:756026 - ningetinib

Default Structure
ChEBI IDCHEBI:756026
ChEBI Nameningetinib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H29FN4O5
Net Charge0
Average Mass556.594
Monoisotopic Mass556.21220
SMILESCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)
InChIKeyVQYYQSZNRVQLIS-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
ningetinib (CHEBI:756026) has role antineoplastic agent (CHEBI:35610)
ningetinib (CHEBI:756026) is a aromatic amide (CHEBI:62733)
Synonyms  Source
CT-053 FREE BASEChEMBL
CT-053-PTSA FREE BASEChEMBL
CT053PTSA FREE BASEChEMBL
NingetinibChEMBL
Citations