CHEBI:75998 - trametinib

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ChEBI Name trametinib
ChEBI ID CHEBI:75998
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H23FIN5O4
Net Charge 0
Average Mass 615.39480
Monoisotopic Mass 615.078
InChI InChI=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)
InChIKey LIRYPHYGHXZJBZ-UHFFFAOYSA-N
SMILES CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 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) 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 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 Sources
tramétinib WHO MedNet
trametinib WHO MedNet
trametinib WHO MedNet
trametinibum WHO MedNet
Synonyms Sources
GSK 1120212 ChemIDplus
JTP 74057 ChemIDplus
Manual Xrefs Databases
4802 DrugCentral
D10175 KEGG DRUG
DB08911 DrugBank
LSM-1143 LINCS
Trametinib Wikipedia
WO2005121142 Patent
WO2011038082 Patent
WO2011038085 Patent
WO2011047238 Patent
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Registry Numbers Types Sources
12497153 Reaxys Registry Number Reaxys
871700-17-3 CAS Registry Number KEGG COMPOUND
871700-17-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
22 February 2017