Compound Detail
CHEMBL204158
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Basic Information
| ChEMBL ID | CHEMBL204158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTPAYYPWGCIXCD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.84
ALogP
7
HBA
0
HBD
67.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.23 | 5.205 | 5890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibitory activity against TGF-beta-stimulated proliferation in NIH3T3 cells | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 5890.0 | nM | 5.23 | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink ... | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 6580.0 | nM | 5.18 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 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 |
Data from ChEMBL 36 via Core Engine