Compound Detail
CHEMBL4776645
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CC(C)c1cc(C(=O)c2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL4776645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLHYDLMGCXBYGV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.2
MW (Da)
2.37
ALogP
8
HBA
2
HBD
139.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.03 | 5.56 | 930.0 | 2 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 5.67 | 5.67 | 2112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 930.0 | nM | 6.03 | Agonist activity at recombinant hexa-His-tagged THRbeta LBD (148 to 410 residues... | 32768645 |
| Thyroid hormone receptor beta | EC50 | = | 2112.0 | nM | 5.67 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Unchecked | EC50 | = | 8200.0 | nM | 5.09 | Agonist activity at recombinant hexa-His-tagged THRalpha LBD (202 to 461 residue... | 32768645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32768645 | 10.1016/j.bmcl.2020.127465 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine