Compound Detail
CHEMBL4163070
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4163070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXAUESXRNXRXCG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
3.20
ALogP
5
HBA
3
HBD
108.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.9
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.53 | 7.53 | 29.8 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 7.3 | 6.46 | 50.0 | 2 |
| Egl nine homolog 1 CHEMBL5697 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 12.6 | nM | 7.9 | Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escheri... | 35507418 |
| Thyroid hormone receptor alpha | EC50 | = | 29.8 | nM | 7.53 | Agonist activity at wild type human TR alpha LBD expressed in Escherichia coli B... | 35507418 |
| Egl nine homolog 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of PHD2 (unknown origin) incubated for 15 mins by competitive fluores... | 35507418 |
| Egl nine homolog 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human HIF-PHD2 assessed as reduction in HIF1-alpha binding to VBC ... | 29259755 |
| Egl nine homolog 1 | EC50 | = | 19000.0 | nM | 4.72 | Inhibition of PHD2 in human Hep3B cells assessed as increase in EPO release afte... | 29259755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29259755 | 10.1021/acsmedchemlett.7b00404 | Egl nine homolog 1 | 2 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor beta | 2 |
| 29259755 | 10.1021/acsmedchemlett.7b00404 | ADMET | 1 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor alpha | 1 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Egl nine homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine