Compound Detail
CHEMBL5284123
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N#Cc1nn(-c2cc(Cl)c(-n3ccc4c3ccc(=O)n4C3CCCC3)c(Cl)c2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5284123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNYMDCBBWIXDEQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.3
MW (Da)
3.32
ALogP
8
HBA
1
HBD
118.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 40.0 | nM | 7.4 | Agonist activity at human THRbeta transfected in Huh7 cells co-transfected with ... | 36799411 |
| Thyroid hormone receptor alpha | EC50 | = | 340.0 | nM | 6.47 | Agonist activity at human THRalpha transfected in Huh7 cells co-transfected with... | 36799411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor alpha | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Thyroid hormone receptor beta | 1 |
| 36799411 | 10.1021/acs.jmedchem.2c01669 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine