Compound Detail
CHEMBL1330588
METHYLTHIOURACIL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1330588 |
| Name | METHYLTHIOURACIL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HWGBHCRJGXAGEU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
142.2
MW (Da)
0.74
ALogP
2
HBA
2
HBD
48.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Thyroid Diseases
ATC Classification
H03BA01
methylthiouracil
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: THYROID THERAPY
Activity Summary
IC50 3 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lactoperoxidase CHEMBL5898 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.18 | 4.18 | 66700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lactoperoxidase | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of LPO (unknown origin)-mediated L-tyrosine nitration incubated for 2... | 38716896 |
| No relevant target | IC50 | = | 66700.0 | nM | 4.18 | Antioxidant activity assessed as inhibition of peroxynitrite mediated L-tyrosine... | 38716896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 38716896 | 10.1021/acs.jmedchem.3c02426 | Lactoperoxidase | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 21189019 | 10.1021/jm101266s | 72 kDa type IV collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Interstitial collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Matrix metalloproteinase-9 | 1 |
| 21189019 | 10.1021/jm101266s | Neutrophil collagenase | 1 |
| 21189019 | 10.1021/jm101266s | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine