Compound Detail
CHEMBL129677
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Basic Information
| ChEMBL ID | CHEMBL129677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJTYZDORHCDZPS-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
4.00
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 6 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.54 | 7.872 | 2.9 | 5 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 2.9 | nM | 8.54 | In vitro inhibition of transforming growth factor- beta dependent luciferase pro... | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 7.1 | nM | 8.15 | In vitro inhibition of transforming growth factor- beta dependent luciferase gro... | 12954047 |
| TGF-beta receptor type-1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of TbetaR-1 (unknown origin) | 32092587 |
| TGF-beta receptor type-1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of TGFbetaR1 (unknown origin) | 38626523 |
| TGF-beta receptor type-1 | IC50 | = | 34.0 | nM | 7.47 | In vitro inhibitory activity against human Transforming growth factor beta-1 rec... | 12954047 |
| Mitogen-activated protein kinase 14 | IC50 | = | 78.0 | nM | 7.11 | 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 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12954047 | 10.1021/jm0205705 | Mitogen-activated protein kinase 14 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32092587 | 10.1016/j.ejmech.2020.112154 | TGF-beta receptor type-1 | 1 |
| 38626523 | 10.1016/j.ejmech.2024.116395 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine