SELADELPAR

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Synonyms
Status
Molecule Category Free-form
UNII 7C00L34NB9

Structure

InChI Key JWHYSEDOYMYMNM-QGZVFWFLSA-N
Smiles 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

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor delta agonist AGONIST PubMed Wikipedia Other
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 2
1.9-2 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
1.9-2 - - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor delta
Description: Peroxisome proliferator-activated receptor delta
Organism : Homo sapiens
Q03181 ENSG00000112033

Cross References

Resources Reference
ChEMBL CHEMBL230158
DrugBank DB12390
FDA SRS 7C00L34NB9
Guide to Pharmacology 11137
PubChem 11236126
SureChEMBL SCHEMBL392331
ZINC ZINC000028704627
CONTENTS