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CHEBI:75998 - trametinib

ChEBI IDCHEBI:75998
ChEBI Nametrametinib
Stars
DefinitionA pyridopyrimidine that is used (as its dimethyl sulfoxide addition compound) for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations, and who have not received prior BRAF inhibitor treatment.
Last Modified5 October 2021
SubmitterSteve
DownloadsMolfile
FormulaC26H23FIN5O4
Net Charge0
Average Mass615.403
Monoisotopic Mass615.07788
SMILESCC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1
InChIInChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
InChIKeyLIRYPHYGHXZJBZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
trametinib (CHEBI:75998) has role anticoronaviral agent (CHEBI:149553)
trametinib (CHEBI:75998) has role antineoplastic agent (CHEBI:35610)
trametinib (CHEBI:75998) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
trametinib (CHEBI:75998) has role geroprotector (CHEBI:176497)
trametinib (CHEBI:75998) is a acetamides (CHEBI:22160)
trametinib (CHEBI:75998) is a aromatic amine (CHEBI:33860)
trametinib (CHEBI:75998) is a cyclopropanes (CHEBI:51454)
trametinib (CHEBI:75998) is a organofluorine compound (CHEBI:37143)
trametinib (CHEBI:75998) is a organoiodine compound (CHEBI:37142)
trametinib (CHEBI:75998) is a pyridopyrimidine (CHEBI:38932)
trametinib (CHEBI:75998) is a ring assembly (CHEBI:36820)
Incoming Relation(s)
trametinib dimethyl sulfoxide (CHEBI:75991) has part trametinib (CHEBI:75998)
IUPAC Name 
N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl}phenyl)acetamide
INNs  Source
trametinibWHO MedNet
trametinibWHO MedNet
tramétinibWHO MedNet
trametinibumWHO MedNet
Synonyms  Source
GSK 1120212ChemIDplus
JTP 74057ChemIDplus
Manual XrefsDatabases
D10175KEGG DRUG
DB08911DrugBank
WO2005121142Patent
WO2011047238Patent
WO2011038085Patent
WO2011038082Patent
TrametinibWikipedia
LSM-1143LINCS
4802DrugCentral
9881833ChemSpider
Registry NumbersSources
Reaxys:12497153Reaxys
CAS:871700-17-3KEGG COMPOUND
CAS:871700-17-3ChemIDplus
Citations