Compound Detail
CHEMBL382838
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Basic Information
| ChEMBL ID | CHEMBL382838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIACYWZAPISCDQ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
59.4
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 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.82 | 7.575 | 15.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 4.8 | 4.8 | 15940.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink ... | 16539403 |
| Unchecked | IC50 | = | 42.0 | nM | 7.38 | Inhibitory activity against TGF-beta-stimulated proliferation in NIH3T3 cells | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 16539403 |
| TGF-beta receptor type-2 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells | 16539403 |
| Mitogen-activated protein kinase kinase kinase 20 | IC50 | = | 15940.0 | nM | 4.8 | Inhibition of MLK7 | 16539403 |
| Cytochrome P450 2D6 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of cytochrome P450 2D6 | 16539403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-1 | 2 |
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-2 | 1 |
| 16539403 | 10.1021/jm058209g | Mitogen-activated protein kinase kinase kinase 20 | 1 |
| 16539403 | 10.1021/jm058209g | Unchecked | 1 |
| 16539403 | 10.1021/jm058209g | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine