RESMETIROM

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: RE0V0T1ES0

Structure
InChI Key FDBYIYFVSAHJLY-UHFFFAOYSA-N
Smile CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O
InChI
InChI=1S/C17H12Cl2N6O4/c1-7(2)9-5-13(22-23-15(9)26)29-14-10(18)3-8(4-11(14)19)25-17(28)21-16(27)12(6-20)24-25/h3-5,7H,1-2H3,(H,23,26)(H,21,27,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H12Cl2N6O4
Molecular Weight 435.23
AlogP 2.1
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 146.52
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Thyroid hormone receptor beta-1 agonist PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 22000 - - -
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
3740 - - - -
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
210 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Hyperlipoproteinemia Type II 2 D006938 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3261331
DrugBank DB12914
FDA SRS RE0V0T1ES0
SureChEMBL SCHEMBL2927241
ZINC ZINC000034842512
CONTENTS