Compound Detail
CHEMBL1518
PROPYLTHIOURACIL 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1518 |
| Name | PROPYLTHIOURACIL |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KNAHARQHSZJURB-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
9
Activities
2
Assay Types
11
PK Parameters
20
Publications
8
Known Names
6
Indications
2
Mechanisms
Molecular Properties
170.2
MW (Da)
1.38
ALogP
2
HBA
2
HBD
48.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1947 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Thyroid peroxidase inhibitor | INHIBITOR | Thyroid peroxidase | ✓ | ✓ |
| Type I iodothyronine deiodinase (Type-I 5'-deiodinase) (DIOI) (Type 1 DI) (5DI) inhibitor | INHIBITOR | Type I iodothyronine deiodinase | ✓ | ✓ |
Indications
Hyperthyroidism Thyroid Diseases Graves Disease Graves Ophthalmopathy Thyrotoxicosis Ischemic Stroke
ATC Classification
H03BA02
propylthiouracil
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: THYROID THERAPY
Drug Warnings
Black Box Warning
hepatotoxicity
Activity Summary
IC50 8 meas. best 5.55
EC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Taste receptor type 2 member 38 CHEMBL4523248 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Myeloperoxidase CHEMBL2439 | IC50 | 5.55 | 5.3567 | 2810.0 | 3 |
| Thyroid peroxidase CHEMBL1839 | IC50 | 5.47 | 5.47 | 3380.0 | 1 |
| Lactoperoxidase CHEMBL5898 | IC50 | 5.12 | 5.12 | 7520.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| F | 78.0 | % | Homo sapiens |
| F | 85.0 | % | Homo sapiens |
| Fu | 0.18 | - | Homo sapiens |
| Fu | 0.18 | - | Homo sapiens |
| MRT | 1.8 | hr | Homo sapiens |
| T1/2 | 1.3 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Taste receptor type 2 member 38 | EC50 | = | 2000.0 | nM | 5.7 | Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses... | - |
| Myeloperoxidase | IC50 | = | 2810.0 | nM | 5.55 | Inhibition of peroxidase activity of MPO isolated from human polynuclear leukocy... | 26509551 |
| Thyroid peroxidase | IC50 | = | 3380.0 | nM | 5.47 | Inhibition of TPO (unknown origin) using Amplex Red as substrate assessed as for... | 26509551 |
| Myeloperoxidase | IC50 | = | 5250.0 | nM | 5.28 | Inhibition of human leukocyte MPO chlorinating activity using hydrogen peroxide ... | 38991154 |
| Myeloperoxidase | IC50 | = | 5700.0 | nM | 5.24 | Irreversible inhibition of MPO in LPS-stimulated human whole blood after 4 hrs b... | 26509551 |
| Lactoperoxidase | IC50 | = | 7520.0 | nM | 5.12 | Inhibition of LPO (unknown origin)-mediated L-tyrosine nitration incubated for 2... | 38716896 |
| No relevant target | IC50 | = | 95000.0 | nM | 4.02 | Antioxidant activity assessed as inhibition of peroxynitrite mediated L-tyrosine... | 38716896 |
Literature References
Data from ChEMBL 36 via Core Engine