TRAMETINIB DIMETHYL SULFOXIDE

Search structure
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: BSB9VJ5TUT

Structure
InChI Key OQUFJVRYDFIQBW-UHFFFAOYSA-N
Smile CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.C[S+](C)[O-]
InChI
InChI=1S/C26H23FIN5O4.C2H6OS/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;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H29FIN5O5S
Molecular Weight 693.54
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dual specificity mitogen-activated protein kinase kinase 1 inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 4 D008545 FDA
Melanoma 4 D008545 ClinicalTrials
Erdheim-Chester Disease 2 D031249 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 75991
ChEMBL CHEMBL2105741
EPA CompTox DTXSID30152223
FDA SRS BSB9VJ5TUT
SureChEMBL SCHEMBL1516331
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