LY-518674

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: U8I57RC739

Structure
InChI Key PNHFDVSKDSLUFH-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor alpha 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 24-24 - - -
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
- 3800-3802 - - -
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
- 6500-6501 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Metabolic Syndrome 2 D024821 ClinicalTrials
Hypertension 2 D006973 ClinicalTrials
Hypercholesterolemia 2 D006937 ClinicalTrials

Cross References

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