Compound Detail
CHEMBL338713
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Basic Information
| ChEMBL ID | CHEMBL338713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTTXUTQNMJFOSU-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.69
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.82 | 6.3975 | 150.0 | 4 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibitory activity against human Transforming growth factor beta-1 rec... | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 683.0 | nM | 6.17 | In vitro inhibition of transforming growth factor- beta dependent luciferase pro... | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 1680.0 | nM | 5.78 | In vitro inhibition of transforming growth factor- beta dependent luciferase gro... | 12954047 |
| Mitogen-activated protein kinase 14 | IC50 | = | 7700.0 | nM | 5.11 | In vitro inhibitory activity against Mitogen-activated protein kinase p38 | 12954047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954047 | 10.1021/jm0205705 | TGF-beta receptor type-1 | 3 |
| 12954047 | 10.1021/jm0205705 | Mitogen-activated protein kinase 14 | 1 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine