DEXTROTHYROXINE

Search structure
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: UKNOWN
ATC: C10AX01
UNII: 4W9K63FION

Structure
InChI Key XUIIKFGFIJCVMT-GFCCVEGCSA-N
Smile N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
InChI
InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11I4NO4
Molecular Weight 776.87
AlogP 4.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.78
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Thyroid hormone receptor agonist ISBN PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 330 - - -
Secreted protein
- 7170 - - 75
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
- 35-2500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Down Syndrome 3 D004314 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 30659
ChEMBL CHEMBL559
DrugBank DB00509
DrugCentral 846
EPA CompTox DTXSID60199000
FDA SRS 4W9K63FION
Human Metabolome Database HMDB0014651
Guide to Pharmacology 6951
SureChEMBL SCHEMBL61194
ZINC ZINC000003830994
CONTENTS