Compound Detail
CHEMBL2024693
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Basic Information
| ChEMBL ID | CHEMBL2024693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJGUXIRWUQBCMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
2.97
ALogP
5
HBA
1
HBD
76.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| TGF-beta receptor type-1 CHEMBL2021750 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ALK5 | 22542194 |
| TGF-beta receptor type-1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of ALK5 in mouse NIH/3T3 cells by smad binding element reporter based... | 22542194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22542194 | 10.1016/j.bmcl.2012.04.013 | TGF-beta receptor type-1 | 2 |
| 22542194 | 10.1016/j.bmcl.2012.04.013 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine