Compound Detail
CHEMBL427211
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 | CHEMBL427211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOGPWCKLUSWYNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
4.05
ALogP
4
HBA
0
HBD
35.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 4.91 | 4.91 | 12230.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 20 CHEMBL3886 | IC50 | 4.78 | 4.78 | 16610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 12230.0 | nM | 4.91 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 16539403 |
| Mitogen-activated protein kinase kinase kinase 20 | IC50 | = | 16610.0 | nM | 4.78 | Inhibition of MLK7 | 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