EPROTIROME

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 958AQ7B6R1

Structure
InChI Key VPCSYAVXDAUHLT-UHFFFAOYSA-N
Smile CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O
InChI
InChI=1S/C18H17Br2NO5/c1-9(2)12-7-11(3-4-15(12)22)26-18-13(19)5-10(6-14(18)20)21-16(23)8-17(24)25/h3-7,9,22H,8H2,1-2H3,(H,21,23)(H,24,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H17Br2NO5
Molecular Weight 487.14
AlogP 5.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 95.86
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Thyroid hormone receptor beta-1 agonist PubMed 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 A Nuclear hormone receptor subfamily 1 group A member 1
- - - 10 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group A Nuclear hormone receptor subfamily 1 group A member 2
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hyperlipoproteinemia Type II 3 D006938 ClinicalTrials
Hypercholesterolemia 2 D006937 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2035874
DrugBank DB05035
EPA CompTox DTXSID00189021
FDA SRS 958AQ7B6R1
PDB 64L
PubChem 10299876
SureChEMBL SCHEMBL759034
ZINC ZINC000001494227
CONTENTS