Compound Detail
CHEMBL122414
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Basic Information
| ChEMBL ID | CHEMBL122414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKTPHZYFGXICIY-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.19
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyroid hormone receptor beta CHEMBL1947 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.58 | 5.58 | 2620.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 5.25 | 5.25 | 5620.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyroid hormone receptor beta | IC50 | = | 2620.0 | nM | 5.58 | Inhibitory activity against TGF-beta type I receptor | 15177480 |
| TGF-beta receptor type-1 | IC50 | = | 2620.0 | nM | 5.58 | Inhibition of TGFR1 | 19640613 |
| NIH3T3 | IC50 | = | 5620.0 | nM | 5.25 | Inhibitory activity tested in NIH 3T3 cells | 15177480 |
| Unchecked | IC50 | = | 11800.0 | nM | 4.93 | 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 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine