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CHEBI:756980 - gsk-3117391

Default Structure
ChEBI IDCHEBI:756980
ChEBI Namegsk-3117391
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H33N3O4
Net Charge0
Average Mass403.523
Monoisotopic Mass403.24711
SMILESO=C(CCc1ccc(CN[C@H](C(=O)OC2CCCC2)C2CCCCC2)cn1)NO
InChIInChI=1S/C22H33N3O4/c26-20(25-28)13-12-18-11-10-16(14-23-18)15-24-21(17-6-2-1-3-7-17)22(27)29-19-8-4-5-9-19/h10-11,14,17,19,21,24,28H,1-9,12-13,15H2,(H,25,26)/t21-/m0/s1
InChIKeyAFDPFLDWOXXHQM-NRFANRHFSA-N
Roles Classification
Application:
antirheumatic drug  A drug used to treat rheumatoid arthritis.
ChEBI Ontology
Outgoing Relation(s)
gsk-3117391 (CHEBI:756980) has role antirheumatic drug (CHEBI:35842)
gsk-3117391 (CHEBI:756980) is a α-amino acid ester (CHEBI:46874)
Synonyms  Source
Chr 5154ChEMBL
Chr-5154ChEMBL
CHR5154ChEMBL
CYCLOHEXANEACETIC ACID, .ALPHA.-(((6-(3-(HYDROXYAMINO)-3-OXOPROPYL)-3-PYRIDINYL)METHYL)AMINO)-, CYCLOPENTYL ESTER, (.ALPHA.S)-ChEMBL
GSK-3117391ChEMBL
GSK3117391ChEMBL