Compound Detail
CHEMBL4205979
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Basic Information
| ChEMBL ID | CHEMBL4205979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POBTWEXPMBRQFA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
4.39
ALogP
6
HBA
1
HBD
68.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.8 | 8.17 | 1.6 | 2 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of human His-tagged TGFbetaR1 T204D mutant expressed in Sf9 insect ce... | 29422332 |
| TGF-beta receptor type-1 | IC50 | = | 29.0 | nM | 7.54 | Biological Assays: Assays are conducted in 1536-well plates and 2 mL reactions a... | - |
| TGF-beta receptor type-2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of wild type His-tagged TGFbetaR2 (unknown origin) after 1 hr by HTRF... | 29422332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29422332 | 10.1016/j.bmc.2018.01.014 | No relevant target | 1 |
| 29422332 | 10.1016/j.bmc.2018.01.014 | TGF-beta receptor type-2 | 1 |
| 29422332 | 10.1016/j.bmc.2018.01.014 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine