Compound Detail
CHEMBL291053
THYROPROPIC ACID 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL291053 |
| Name | THYROPROPIC ACID |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | VRORTNGXAKZJML-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
3
Known Names
Molecular Properties
636.0
MW (Da)
5.02
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.45
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 7 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 10.72 | 10.72 | 0.0 | 3 |
| Thyroid hormone receptor alpha CHEMBL1860 | IC50 | 10.39 | 10.39 | 0.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Proliferating cell nuclear antigen CHEMBL2346488 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 0.019 | nM | 10.72 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor beta | IC50 | = | 0.01905 | nM | 10.72 | Inhibition of human thyroid hormone receptor beta 1 | 17524652 |
| Thyroid hormone receptor beta | IC50 | = | 0.01905 | nM | 10.72 | Inhibition of thyroid hormone receptor beta | 17467994 |
| Thyroid hormone receptor alpha | IC50 | = | 0.041 | nM | 10.39 | Concentration required to inhibit 50% of I-T3 binding to hTR1 (Thyroid hormone r... | 12699376 |
| Thyroid hormone receptor alpha | IC50 | = | 0.04074 | nM | 10.39 | Inhibition of thyroid hormone receptor alpha | 17467994 |
| Unchecked | IC50 | = | 4400.0 | nM | 5.36 | Biochemical Characterization of Cif Inhibitors: The first step in characterizing... | - |
| Proliferating cell nuclear antigen | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human recombinant PCNA interaction with PIP box protein N-5-carbox... | 23395113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1738147 | 10.1021/jm00081a017 | Glycerol-3-phosphate dehydrogenase [NAD(+)], cytoplasmic | 3 |
| 1738147 | 10.1021/jm00081a017 | NADP-dependent malic enzyme | 3 |
| 1738147 | 10.1021/jm00081a017 | Rattus norvegicus | 2 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor alpha | 1 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor beta | 1 |
| 12699376 | 10.1021/jm021080f | Thyroid hormone receptor | 1 |
| 17524652 | 10.1016/j.bmc.2007.05.016 | Thyroid hormone receptor beta | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor alpha | 1 |
| 17467994 | 10.1016/j.bmc.2007.04.015 | Thyroid hormone receptor beta | 1 |
| 23395113 | 10.1016/j.bmc.2013.01.022 | Proliferating cell nuclear antigen | 1 |
Data from ChEMBL 36 via Core Engine