Compound Detail
CHEMBL559
DEXTROTHYROXINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL559 |
| Name | DEXTROTHYROXINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XUIIKFGFIJCVMT-GFCCVEGCSA-N |
| Therapeutic | ✓ Yes |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
2
Indications
1
Mechanisms
Molecular Properties
776.9
MW (Da)
4.56
ALogP
4
HBA
3
HBD
92.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1967 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thyroid hormone receptor agonist | AGONIST | Thyroid hormone receptor | ✓ | ✓ |
Indications
Cardiovascular Diseases Down Syndrome
ATC Classification
C10AX01
dextrothyroxine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: LIPID MODIFYING AGENTS
Activity Summary
IC50 4 meas. best 7.46
Ki 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL3917 | IC50 | 7.46 | 6.53 | 35.0 | 2 |
| Solute carrier organic anion transporter family member 1C1 CHEMBL2073688 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| Transthyretin CHEMBL3194 | IC50 | 5.14 | 5.14 | 7170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 35.0 | nM | 7.46 | In vitro inhibition of the bound [125I]L-T3 rat liver nuclear L-triiodothyronine... | 7861417 |
| Solute carrier organic anion transporter family member 1C1 | Ki | = | 270.0 | nM | 6.57 | TP_TRANSPORTER: inhibition of L-T4 uptake in Oatp14-expressing HEK293 cells | 15166123 |
| Glutamate NMDA receptor | IC50 | = | 330.0 | nM | 6.48 | Ability to displace [3H]L-689560 from NMDA receptor glycine site in rat brain me... | - |
| Thyroid hormone receptor beta | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibition of bound [125I]L-T3 rat plasma membrane 3,5,3'' L-triiodothy... | 7861417 |
| Transthyretin | IC50 | = | 7170.0 | nM | 5.14 | Inhibition of transthyretin fibril formation at pH 4.4 | 17948976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 17948976 | 10.1021/jm0700159 | Transthyretin | 6 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Cannabinoid receptor 1 | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 2 |
| 7861417 | 10.1021/jm00004a015 | Thyroid hormone receptor beta | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H2 receptor | 2 |
| 12871948 | 10.1074/jbc.m300909200 | Monocarboxylate transporter 8 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H1 receptor | 1 |
Data from ChEMBL 36 via Core Engine