Compound Detail
CHEMBL181640
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Basic Information
| ChEMBL ID | CHEMBL181640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPYLCJSMNYCTLZ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
4.00
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.56 | 6.36 | 274.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 274.0 | nM | 6.56 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 420.0 | nM | 6.38 | Stimulation of Transforming growth factor beta receptor I kinase in HepG2 cells | 15317461 |
| TGF-beta receptor type-1 | IC50 | = | 720.0 | nM | 6.14 | Binding affinity to Activin A receptor type II-like kinase (ALK5) in fluorescenc... | 15317461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37871287 | 10.1021/acs.jmedchem.3c01273 | Mycobacterium tuberculosis | 4 |
| 15317461 | 10.1021/jm0400247 | TGF-beta receptor type-1 | 2 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine