EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231606 - DS-1-38

ChEBI IDCHEBI:231606
ChEBI NameDS-1-38
Stars
DefinitionA 1-benzofuran that is substituted by ethyl, 4-hydroxybenzoyl, and 1-methyl-1H-pyrazol-4-yl groups at positions 2, 3, and 5, respectively. It is an EYA1 antagonist that exhibits antineoplastic activity.
Last Modified13 August 2024
Submitterruixy
DownloadsMolfile
FormulaC21H18N2O3
Net Charge0
Average Mass346.386
Monoisotopic Mass346.13174
SMILESCCc1oc2ccc(-c3cnn(C)c3)cc2c1C(=O)c1ccc(O)cc1
InChIInChI=1S/C21H18N2O3/c1-3-18-20(21(25)13-4-7-16(24)8-5-13)17-10-14(6-9-19(17)26-18)15-11-22-23(2)12-15/h4-12,24H,3H2,1-2H3
InChIKeyRHWADIJMDAZXJI-UHFFFAOYSA-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)
DS-1-38 (CHEBI:231606) has role antineoplastic agent (CHEBI:35610)
DS-1-38 (CHEBI:231606) is a 1-benzofurans (CHEBI:38830)
DS-1-38 (CHEBI:231606) is a aromatic ketone (CHEBI:76224)
DS-1-38 (CHEBI:231606) is a phenols (CHEBI:33853)
DS-1-38 (CHEBI:231606) is a pyrazoles (CHEBI:26410)
DS-1-38 (CHEBI:231606) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
[2-ethyl-5-(1-methyl-1H-pyrazol-4-yl)-1-benzofuran-3-yl](4-hydroxyphenyl)methanone
Synonym  Source
DS38ChEBI
Citations