Compound Detail
CHEMBL126180
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Basic Information
| ChEMBL ID | CHEMBL126180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUGRNXPVTYJQNC-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.21
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.43 | 6.2825 | 369.0 | 4 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 369.0 | nM | 6.43 | In vitro inhibitory activity against human Transforming growth factor beta-1 rec... | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 369.0 | nM | 6.43 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 399.0 | nM | 6.4 | In vitro inhibition of transforming growth factor- beta dependent luciferase pro... | 12954047 |
| Mitogen-activated protein kinase 14 | IC50 | = | 510.0 | nM | 6.29 | In vitro inhibitory activity against Mitogen-activated protein kinase p38 | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 1340.0 | nM | 5.87 | In vitro inhibition of transforming growth factor- beta dependent luciferase gro... | 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