SELADELPAR

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
UNII: 7C00L34NB9

Structure
InChI Key JWHYSEDOYMYMNM-QGZVFWFLSA-N
Smile CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1
InChI
InChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23F3O5S
Molecular Weight 444.47
AlogP 5.05
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 64.99
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor delta agonist PubMed Wikipedia Other
Primary Target
Peroxisome proliferator-activated receptor-β/δ
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
1500 - - - -
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
2-2 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis, Biliary 3 D008105 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials
Cholangitis, Sclerosing 2 D015209 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hyperlipoproteinemia Type II 2 D006938 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 851528-79-5
ChEMBL CHEMBL230158
DrugBank DB12390
FDA SRS 7C00L34NB9
Guide to Pharmacology 11137
PubChem 11236126
SureChEMBL SCHEMBL392331
ZINC ZINC000028704627
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