ELAFIBRANOR

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: 2J3H5C81A5

Structure
InChI Key AFLFKFHDSCQHOL-IZZDOVSWSA-N
Smile CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1
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+

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H24O4S
Molecular Weight 384.5
AlogP 5.16
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 63.6
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor alpha agonist PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.467
Enzyme Transferase
- - - - 23.4
Enzyme
- - - - 0.467
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -7.51-7.61
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
10-888.4 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
10-842.9 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
175-3962 - - - -
Unclassified protein
- 39600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis, Biliary 3 D008105 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707395
DrugBank DB05187
FDA SRS 2J3H5C81A5
Guide to Pharmacology 11135
SureChEMBL SCHEMBL815512
ZINC ZINC000114643710
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