Compound Detail
CHEMBL120799
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Basic Information
| ChEMBL ID | CHEMBL120799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASRLFBGOPXVFBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.70
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.48 | 5.48 | 3330.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.41 | 5.41 | 3860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 1320.0 | nM | 5.88 | Inhibitory activity against TGF-beta type I receptor | 15177480 |
| NIH3T3 | IC50 | = | 3330.0 | nM | 5.48 | Inhibitory activity tested in NIH 3T3 cells | 15177480 |
| Unchecked | IC50 | = | 3860.0 | nM | 5.41 | Inhibitory activity against TGF-beta dependent luciferase production in mink lun... | 15177480 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177480 | 10.1016/j.bmcl.2004.04.065 | Thyroid hormone receptor beta | 1 |
| 15177480 | 10.1016/j.bmcl.2004.04.065 | Unchecked | 1 |
| 15177480 | 10.1016/j.bmcl.2004.04.065 | NIH3T3 | 1 |
| 15177480 | 10.1016/j.bmcl.2004.04.065 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine