LY-518674

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Synonyms
Status
Molecule Category Free-form
UNII U8I57RC739

Structure

InChI Key PNHFDVSKDSLUFH-UHFFFAOYSA-N
Smiles Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(=O)O)cc3)nc2O)cc1
InChI
InChI=1S/C23H27N3O4/c1-16-7-9-18(10-8-16)15-26-22(29)24-20(25-26)6-4-5-17-11-13-19(14-12-17)30-23(2,3)21(27)28/h7-14H,4-6,15H2,1-3H3,(H,27,28)(H,24,25,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27N3O4
Molecular Weight 409.49
AlogP 3.76
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 97.47
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor alpha agonist AGONIST PubMed
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
42-42 23.99-24 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
42-42 24 - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor alpha
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Cross References

Resources Reference
ChEMBL CHEMBL424133
DrugBank DB12988
FDA SRS U8I57RC739
Guide to Pharmacology 2658
PubChem 135449333
SureChEMBL SCHEMBL2669568
ZINC ZINC000000595076
CONTENTS