trametinib   Click here for help

GtoPdb Ligand ID: 6495

Synonyms: GSK1120212 | GSK1120212B | GSK212 | JTP 74057 | Mekinist® | trametinib dimethyl sulfoxide
Approved drug PDB Ligand
trametinib is an approved drug (FDA (2013), EMA (2014))
Compound class: Synthetic organic
Comment: Trametinib is a Type-3 kinase inhibitor. Marketed formulations contain trametinib dimethyl sulfoxide (PubChem CID 50992434).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 106.61
Molecular weight 615.08
XLogP 6.37
No. Lipinski's rules broken 1
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Canonical SMILES CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C
Isomeric SMILES CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2013), EMA (2014))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9421 trametinib
Synonyms Click here for help
GSK1120212 | GSK1120212B | GSK212 | JTP 74057 | Mekinist® | trametinib dimethyl sulfoxide
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9653120
Reactome Reaction Reactome logo R-HSA-9657599
Other databases
CAS Registry No. 871700-17-3 (source: SciFinder)
ChEMBL Ligand CHEMBL2103875
DrugBank Ligand DB08911
DrugCentral Ligand 4802
GtoPdb PubChem SID 178103109
PubChem CID 11707110
Search Google for chemical match using the InChIKey LIRYPHYGHXZJBZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey LIRYPHYGHXZJBZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LIRYPHYGHXZJBZ-UHFFFAOYSA-N
Wikipedia Trametinib