Molecule Details
| InChIKey | XUIIKFGFIJCVMT-LBPRGKRZSA-N |
|---|---|
| Canonical SMILES | N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.21 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00451 |
|---|---|
| Drug Name | Levothyroxine |
| CAS Number | 51-48-9 |
| Groups | approved investigational |
| ATC Codes | H03AA01 H03AA51 |
| Description | Levothyroxine is a synthetically produced form of thyroxine, a major endogenous hormone secreted by the thyroid gland.[F4633] Also known as L-thyroxine or the brand name product Synthroid, levothyroxine is used primarily to treat hypothyroidism, a condition where the thyroid gland is no longer able ... |
Categories: Agents used to treat hypothyroidism Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Narrow Therapeutic Index Drugs OATP1B1/SLCO1B1 Substrates Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inducers Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins Thyroid Products Thyroxine-binding globulin substrates UGT1A1 Substrates UGT1A1 Substrates with a Narrow Therapeutic Index
Cross-references: BindingDB: 50301375 ChEBI: 58448 CHEMBL1624 ChemSpider: 5614 Drugs Product Database (DPD): 5325 Guide to Pharmacology: 2635 IUPHAR: 2635 C01829 D08125 PDB: T44 PharmGKB: PA450221 PubChem:5819 PubChem:46507672 RxCUI: 10582 Therapeutic Targets Database: DAP000083 Wikipedia: Levothyroxine ZINC: ZINC000003830993
Target Activities (2)
DrugBank Target Actions (18)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02766 | TTR | Transthyretin | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P05543 | P05543 | Thyroxine-binding globulin | substrate | carriers |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P10827 | THRA | Thyroid hormone receptor alpha | agonist | targets |
| P10828 | THRB | Thyroid hormone receptor beta | agonist | targets |
| P05106 | ITGB3 | Integrin beta-3 | binder | targets |
| P06756 | ITGAV | Integrin alpha-V | binder | targets |
| Q01650 | Q01650 | Large neutral amino acids transporter small subunit 1 | binder | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | inhibitor | transporters |
| P36021 | P36021 | Monocarboxylate transporter 8 | inhibitor | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | substrate | transporters |
| Q96BD0 | Q96BD0 | Solute carrier organic anion transporter family member 4A1 | substrate | transporters |
| Q9NYB5 | Q9NYB5 | Solute carrier organic anion transporter family member 1C1 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |