Compound Detail
CHEMBL5944374
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
CC[C@@H](O)c1cc(Oc2c(Cl)cc(NC(=O)c3noc(=O)[nH]3)cc2Cl)n[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL5944374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFRAWAJEANATRE-SNVBAGLBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
442.2
MW (Da)
2.24
ALogP
8
HBA
4
HBD
163.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| Thyroid hormone receptor alpha CHEMBL1860 | EC50 | 5.37 | 5.37 | 4231.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | EC50 | = | 450.0 | nM | 6.35 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
| Thyroid hormone receptor alpha | EC50 | = | 4231.0 | nM | 5.37 | Time-Resolved Fluorescence Resonance Energy Transfer (TR-FRET) Assay for Thyroid... | - |
Data from ChEMBL 36 via Core Engine