Compound Detail
CHEMBL4533719
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Basic Information
| ChEMBL ID | CHEMBL4533719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGVZCSFIQFRWHI-USZOJTKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.73
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.83 | 7.83 | 14.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 14.9 | nM | 7.83 | Inhibition of recombinant human N-terminal GST-tagged TGFbeta1 receptor (80 to e... | 31408333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31408333 | 10.1021/acs.jmedchem.9b00708 | Rattus norvegicus | 20 |
| 31408333 | 10.1021/acs.jmedchem.9b00708 | TGF-beta receptor type-1 | 17 |
| 31408333 | 10.1021/acs.jmedchem.9b00708 | Unchecked | 5 |
| 31408333 | 10.1021/acs.jmedchem.9b00708 | TGF-beta receptor type-2 | 1 |
Data from ChEMBL 36 via Core Engine