Compound Detail
CHEMBL6061682
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CC(C)c1cc(Oc2c(Cl)cc(N[C@@H](C)c3noc(=O)[nH]3)cc2Cl)nn(C)c1=O
Basic Information
| ChEMBL ID | CHEMBL6061682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMQHHLWLAVRNJY-VIFPVBQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
440.3
MW (Da)
3.85
ALogP
8
HBA
2
HBD
115.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 7.12 | 7.12 | 75.9 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.56 | 6.56 | 277.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | EC50 | = | 75.9 | nM | 7.12 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor beta | EC50 | = | 277.0 | nM | 6.56 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
Data from ChEMBL 36 via Core Engine