Bioactive Compound Details

BioIDbio3518
NameEFLUCIMIBE
ChEMBL IDCHEMBL1908306
Molecular FormulaC29H43NO2S
Molecular Weight469.74
Molecular Weight (Monoisotopic)469.3015
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsEFLUCIMIBA|EFLUCIMIBE|F-12511
SmilesCCCCCCCCCCCCS[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1
InchiInChI=1S/C29H43NO2S/c1-5-6-7-8-9-10-11-12-13-17-20-33-28(25-18-15-14-16-19-25)29(32)30-26-21-22(2)27(31)24(4)23(26)3/h14-16,18-19,21,28,31H,5-13,17,20H2,1-4H3,(H,30,32)/t28-/m0/s1
Inchi KeyZXEIEKDGPVTZLD-NDEPHWFRSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score-0.45
Records Key['EFLUCIMIBE', 'Eflucimibe', 'BDBM182848', 'F12511']
Records Name['EFLUCIMIBE', 'Eflucimibe', 'US9149492, Eflucimibe (F12511)', 'Eflucimibe']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure