Compound Detail
CHEMBL1824446
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Basic Information
| ChEMBL ID | CHEMBL1824446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTUOOXPZOVNPMF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL226838 |
| Active Moiety | CHEMBL226838 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.47
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.33 | 7.084 | 47.0 | 5 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.23 | 6.23 | 594.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of GST tagged TbetaR-1 (unknown origin) by Westernblot assay | 32092587 |
| TGF-beta receptor type-1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
| TGF-beta receptor type-1 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of human recombinant GST-fused ALK5 expressed in insect Sf9 cells usi... | 21696866 |
| TGF-beta receptor type-1 | IC50 | = | 54.4 | nM | 7.26 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using case... | 21911290 |
| Mitogen-activated protein kinase 14 | IC50 | = | 594.0 | nM | 6.23 | Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF... | 21696866 |
| TGF-beta receptor type-1 | IC50 | = | 594.0 | nM | 6.23 | Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF... | 21911290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696866 | 10.1016/j.ejmech.2011.05.063 | TGF-beta receptor type-1 | 3 |
| 21911290 | 10.1016/j.bmcl.2011.08.064 | TGF-beta receptor type-1 | 3 |
| 21696866 | 10.1016/j.ejmech.2011.05.063 | Mitogen-activated protein kinase 14 | 1 |
| 21696866 | 10.1016/j.ejmech.2011.05.063 | Unchecked | 1 |
| 21911290 | 10.1016/j.bmcl.2011.08.064 | Unchecked | 1 |
| 32092587 | 10.1016/j.ejmech.2020.112154 | TGF-beta receptor type-1 | 1 |
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine