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CHEBI:756661 - domatinostat

Default Structure
ChEBI IDCHEBI:756661
ChEBI Namedomatinostat
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H21N5O3S
Net Charge0
Average Mass447.520
Monoisotopic Mass447.13651
SMILESCn1cc(-c2ccc(S(=O)(=O)n3ccc(/C=C/C(=O)Nc4ccccc4N)c3)cc2)cn1
InChIInChI=1S/C23H21N5O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24/h2-16H,24H2,1H3,(H,26,29)/b11-6+
InChIKeyPRXXYMVLYKJITB-IZZDOVSWSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
domatinostat (CHEBI:756661) has role antineoplastic agent (CHEBI:35610)
domatinostat (CHEBI:756661) is a pyrazoles (CHEBI:26410)
domatinostat (CHEBI:756661) is a ring assembly (CHEBI:36820)
INN  Source
domatinostatWHO MedNet
Synonyms  Source
4sc-202ChEMBL
Hdac inhibitor 4sc-202ChEMBL
Citations