Compound Detail
CHEMBL5517800
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Basic Information
| ChEMBL ID | CHEMBL5517800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXIJBYZTPNOHMX-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
3.54
ALogP
8
HBA
2
HBD
111.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of human recombinant GST-tagged ALK5 expressed in baculovirus infecte... | 38508118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38508118 | 10.1016/j.ejmech.2024.116311 | LX-2 | 4 |
| 38508118 | 10.1016/j.ejmech.2024.116311 | Unchecked | 3 |
| 38508118 | 10.1016/j.ejmech.2024.116311 | Mitogen-activated protein kinase 14 | 1 |
| 38508118 | 10.1016/j.ejmech.2024.116311 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine