Compound Detail
CHEMBL424676
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Basic Information
| ChEMBL ID | CHEMBL424676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYTQMUCONGRNBX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
4.14
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.82 | 7.77 | 15.0 | 2 |
| Activin receptor type-1B CHEMBL5310 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of TGF beta-induced transcription of firefly luciferase reporter gene... | 16570917 |
| TGF-beta receptor type-1 | IC50 | = | 15.0 | nM | 7.82 | Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-A... | 16570917 |
| TGF-beta receptor type-1 | IC50 | = | 19.0 | nM | 7.72 | Inhibition of TGF-beta1 signaling in human HEK293 cells transfected with lucifer... | 21783359 |
| Activin receptor type-1B | IC50 | = | 46.0 | nM | 7.34 | Inhibition of Activin A in human HEK293 cells transfected with luciferase and FA... | 21783359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21783359 | 10.1016/j.bmcl.2010.12.120 | TGF-beta receptor type-1 | 2 |
| 21783359 | 10.1016/j.bmcl.2010.12.120 | Activin receptor type-1B | 2 |
| 16570917 | 10.1021/jm0509905 | TGF-beta receptor type-1 | 1 |
| 16570917 | 10.1021/jm0509905 | HepG2 | 1 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine