Compound Detail
CHEMBL5178553
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
COc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3c(C)cc(C(=O)c4ccccc4)cc3C)cc12
Basic Information
| ChEMBL ID | CHEMBL5178553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZURHRNFVXRVJAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
4.40
ALogP
7
HBA
3
HBD
135.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.7 | 7.7 | 19.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 19.8 | nM | 7.7 | Agonist activity at human TR beta LBD (202 to 461 residues) expressed in Escheri... | 35507418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor beta | 2 |
| 35507418 | 10.1021/acs.jmedchem.2c00144 | Thyroid hormone receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine