Compound Detail
CHEMBL229598
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Basic Information
| ChEMBL ID | CHEMBL229598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHPQUGXTWZYAPZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.14
ALogP
6
HBA
3
HBD
115.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.34 | 7.34 | 46.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of human recombinant ALK5 phosphorylation expressed in Sf9 cells | 17552507 |
| TGF-beta receptor type-1 | IC50 | = | 46.0 | nM | 7.34 | Antagonistic activity at TGFBR1 | 20176484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17552507 | 10.1021/jm070129k | TGF-beta receptor type-1 | 4 |
| 20176484 | 10.1016/j.bmcl.2010.01.140 | TGF-beta receptor type-1 | 2 |
Data from ChEMBL 36 via Core Engine