EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:232048 - RGRN-305

Default Structure
ChEBI IDCHEBI:232048
ChEBI NameRGRN-305
Stars
DefinitionA novel heat shock protein (HSP) 90 inhibitor; HSP90 is a chaperone that promotes the activity of a wide range of client proteins including key proinflammatory molecules involved in aberrant inflammation. RGRN-305 can target HSP90 as a novel mechanism of action in treating multiple immune-mediated inflammatory skin diseases.
Submitterruixy
DownloadsMolfile
FormulaC22H30N6O2S
Net Charge0
Average Mass442.589
Monoisotopic Mass442.21510
SMILESCN(C)c1cc2c(cc1Sc1nc3c(N)nccc3n1CCNCC(C)(C)C)OCO2
InChIInChI=1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)
InChIKeyRVJIQAYFTOPTKK-UHFFFAOYSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antipsoriatic  A drug used to treat psoriasis.
ChEBI Ontology
Outgoing Relation(s)
RGRN-305 (CHEBI:232048) has role antineoplastic agent (CHEBI:35610)
RGRN-305 (CHEBI:232048) has role antipsoriatic (CHEBI:50748)
RGRN-305 (CHEBI:232048) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
cudc-305ChEMBL
CUDC-305SUBMITTER
Cudc305 (hsp90 inhibitor)ChEMBL
Debio 0932SUBMITTER
DEBIO-0932ChEMBL
HSP90 InhibitorSUBMITTER
Registry NumbersSources
CAS:1061318-81-7SUBMITTER
Citations