Compound Detail
CHEMBL97187
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Basic Information
| ChEMBL ID | CHEMBL97187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHJKWBHTJNHMDS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
5.79
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor alpha CHEMBL1860 | Kd | 5.85 | 5.85 | 1400.0 | 1 |
| Thyroid hormone receptor beta CHEMBL1947 | Kd | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor alpha | Kd | = | 1400.0 | nM | 5.85 | Binding affinity towards thyroid hormone receptor (hTR alpha 1) | 11597408 |
| Thyroid hormone receptor beta | Kd | = | 4200.0 | nM | 5.38 | Binding affinity towards thyroid hormone receptor (hTR beta 1) | 11597408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11597408 | 10.1016/s0960-894x(01)00521-2 | Thyroid hormone receptor alpha | 1 |
| 11597408 | 10.1016/s0960-894x(01)00521-2 | Thyroid hormone receptor beta | 1 |
Data from ChEMBL 36 via Core Engine