General Information of the Compound
Compound ID
CP0076831
Compound Name
Elafibranor
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Synonyms
GFT-1007
GFT-505
PPAR activator (dyslipidemia/type 2 diabetes), Genfit
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Structure
Formula
C22H24O4S
Molecular Weight
384.497
Canonical SMILES
CSc1ccc(cc1)C(=O)\C=C\c1cc(C)c(OC(C)(C)C(O)=O)c(C)c1
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InChI
InChI=1S/C22H24O4S/c1-14-12-16(13-15(2)20(14)26-22(3,4)21(24)25)6-11-19(23)17-7-9-18(27-5)10-8-17/h6-13H,1-5H3,(H,24,25)/b11-6+
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InChIKey
AFLFKFHDSCQHOL-IZZDOVSWSA-N
CAS
923978-27-2
Physicochemical Property
logP
5.16344
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
63.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9864881
SID: 14829588
ChEMBL ID
CHEMBL3707395
DrugBank ID
DB05187
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03356, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000188 J774A1 Mus musculus (Mouse)  1
1
IC50 = 39600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 375 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 760 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10 nM
2 EC50 = 225 nM
3 EC50 = 820.3 nM
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 249 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 730 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 10 nM
2 EC50 = 115 nM
3 EC50 = 842.9 nM
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 2790 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 3962 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1843.8 nM
2 EC50 = 2116 nM
Clinical Information about the Compound
Drug 1 ( GFT-505 )
Drug Name GFT-505
Company Genfit SA
Indication
Non-alcoholic steatohepatitis
Phase 3
Type-2 diabetes
Phase 2
Target(s)
Peroxisome proliferator-activated receptor delta (PPARD)
Modulator
Peroxisome proliferator-activated receptor alpha (PPARA)
Modulator