Compound Detail
CHEMBL6250
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Basic Information
| ChEMBL ID | CHEMBL6250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKZOWZZOQPWIFO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
4.23
ALogP
5
HBA
2
HBD
97.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Activin receptor type-1B CHEMBL5310 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.77 | 6.77 | 170.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Activin receptor type-1B | IC50 | = | 158.0 | nM | 6.8 | Inhibition of human ALK4 using ATP as substrate incubated for 60 mins by ADP-glo... | 33730678 |
| TGF-beta receptor type-1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of Activin like receptor kinase 5, TGF beta type I receptor | 11855979 |
| TGF-beta receptor type-1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of TGFR1 | 19640613 |
| TGF-beta receptor type-1 | IC50 | = | 170.0 | nM | 6.77 | Antagonistic activity at TGFBR1 | 20176484 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20176484 | 10.1016/j.bmcl.2010.01.140 | TGF-beta receptor type-1 | 2 |
| 11855979 | 10.1021/jm010493y | TGF-beta receptor type-1 | 1 |
| 11855979 | 10.1021/jm010493y | MAP kinase p38 | 1 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
| 33730678 | 10.1016/j.ejmech.2021.113327 | Activin receptor type-1B | 1 |
Data from ChEMBL 36 via Core Engine