Compound Detail
CHEMBL202994
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Basic Information
| ChEMBL ID | CHEMBL202994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPTWUFILEBEWQL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
4.68
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.4 | 7.4 | 40.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 40.0 | nM | 7.4 | Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-A... | 16570917 |
| TGF-beta receptor type-1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of TGFR1 | 19640613 |
| HepG2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of TGF beta-induced transcription of firefly luciferase reporter gene... | 16570917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16570917 | 10.1021/jm0509905 | TGF-beta receptor type-1 | 1 |
| 16570917 | 10.1021/jm0509905 | HepG2 | 1 |
| 19640613 | 10.1016/j.ejmech.2009.07.008 | TGF-beta receptor type-1 | 1 |
Data from ChEMBL 36 via Core Engine