Compound Detail
CHEMBL381532
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL381532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYJUTFWTMBHZBZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
3.94
ALogP
7
HBA
0
HBD
61.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.16 | 7.0167 | 69.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.56 | 6.56 | 277.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 5.07 | 5.07 | 8480.0 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 4.7 | 4.7 | 19750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 69.0 | nM | 7.16 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 186.0 | nM | 6.73 | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink ... | 16539403 |
| Unchecked | IC50 | = | 277.0 | nM | 6.56 | Inhibitory activity against TGF-beta-stimulated proliferation in NIH3T3 cells | 16539403 |
| Mitogen-activated protein kinase kinase kinase 20 | IC50 | = | 8480.0 | nM | 5.07 | Inhibition of MLK7 | 16539403 |
| TGF-beta receptor type-2 | IC50 | = | 19750.0 | nM | 4.7 | Inhibition of recombinant human TGFbeta R2 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 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine