Bioactive Compound Details

BioIDbio3467
NameRALIMETINIB MESYLATE
ChEMBL IDCHEMBL2364627
Molecular FormulaC26H37FN6O6S2
Molecular Weight612.75
Molecular Weight (Monoisotopic)420.2438
TypeSmall molecule
Max PhaseUnknown
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsLSN-2322600|LSN2322600|LY2228820 dimesylate|RALIMETINIB MESILATE|RALIMETINIB MESYLATE|ZZ-84
SmilesCC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O
InchiInChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)
Inchi KeyNARMJPIBAXVUIE-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities8.0
Np Likeness Score-1.14
Records Key['LY2228820', 'RALIMETINIB MESYLATE', 'LY2228820', 'LY2228820', 'EOS101222']
Records Name['LY2228820', 'RALIMETINIB MESYLATE', 'LY2228820', 'LY2228820', 'LY2228820']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure