Compound Detail
CHEMBL1835525
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Basic Information
| ChEMBL ID | CHEMBL1835525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLDDEVDTYQCEIE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
3.31
ALogP
8
HBA
2
HBD
116.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.46 | 6.915 | 3.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 3.45 | nM | 8.46 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using case... | 21911290 |
| TGF-beta receptor type-1 | IC50 | = | 4280.0 | nM | 5.37 | Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF... | 21911290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21911290 | 10.1016/j.bmcl.2011.08.064 | TGF-beta receptor type-1 | 3 |
| 21911290 | 10.1016/j.bmcl.2011.08.064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine