Compound Detail
CHEMBL436944
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Basic Information
| ChEMBL ID | CHEMBL436944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNHAITJWPXBVCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.67
ALogP
5
HBA
1
HBD
84.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.91 | 6.91 | 123.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.59 | 6.59 | 257.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 123.0 | nM | 6.91 | Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-A... | 16570917 |
| HepG2 | IC50 | = | 257.0 | nM | 6.59 | 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 |
| - | 10.6019/CHEMBL3988181 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine