Compound Detail
CHEMBL1835531
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 | CHEMBL1835531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUBAARFUNAFXTH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
5.11
ALogP
8
HBA
1
HBD
82.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.48 | 6.88 | 3.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of human recombinant GST-fused ALK5 expressed in Sf9 cells using case... | 21911290 |
| TGF-beta receptor type-1 | IC50 | = | 5220.0 | nM | 5.28 | Inhibition of human recombinant p38alpha expressed in Escherichia coli using ATF... | 21911290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21911290 | 10.1016/j.bmcl.2011.08.064 | TGF-beta receptor type-1 | 3 |
| 21911290 | 10.1016/j.bmcl.2011.08.064 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine