LEVOTHYROXINE

Search structure
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: Parent
UNII: Q51BO43MG4

Structure
InChI Key XUIIKFGFIJCVMT-LBPRGKRZSA-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-/m0/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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 43600 - - -
Enzyme Transferase
- 4900-5600 - - -
Secreted protein
- 2188-10500 - - -
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
19 - - - -
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
240 - - - -
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
12000 - 400 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 4
- 7860 - - 58
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
11200-100000 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1
15400 - 930 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 11
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 13

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Congenital Hypothyroidism 3 D003409 ClinicalTrials
Lipid Metabolism Disorders 3 D052439 ClinicalTrials
Hypothyroidism 2 D007037 ClinicalTrials
Graves Disease 2 D006111 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Diabetes Mellitus 1 D003920 ClinicalTrials
Pregnancy 0 D011247 ClinicalTrials

Related Entries

MCS

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 51-48-9
ChEBI 18332
ChEMBL CHEMBL1624
DrugBank DB00451
DrugCentral 2646
EPA CompTox DTXSID8023214
FDA SRS Q51BO43MG4
Human Metabolome Database HMDB0000248
Guide to Pharmacology 2635
KEGG C01829
PDB T44
PharmGKB PA450221
PubChem 5819
SureChEMBL SCHEMBL23098
ZINC ZINC000003830993
CONTENTS