Compound Detail
CHEMBL2088216
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Basic Information
| ChEMBL ID | CHEMBL2088216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVEMGKLSOKWLEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
4.85
ALogP
9
HBA
1
HBD
86.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.36 | 7.36 | 43.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 43.5 | nM | 7.36 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using case... | 23047226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23047226 | 10.1016/j.ejmech.2012.09.011 | TGF-beta receptor type-1 | 2 |
| 23047226 | 10.1016/j.ejmech.2012.09.011 | Unchecked | 1 |
| 23047226 | 10.1016/j.ejmech.2012.09.011 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine