Compound Detail
CHEMBL380916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL380916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYOXPSRJMKQTOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
4.44
ALogP
4
HBA
1
HBD
74.8
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 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.27 | 6.27 | 539.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 110.0 | nM | 6.96 | Displacement of rhodamine green fluorescently labeled ATP from recombinant GST-A... | 16570917 |
| HepG2 | IC50 | = | 539.0 | nM | 6.27 | 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