Compound Detail
CHEMBL203214
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Basic Information
| ChEMBL ID | CHEMBL203214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNFBTGRBXWLYBS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.45
ALogP
5
HBA
0
HBD
48.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 5.86 | 5.59 | 1373.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.79 | 5.79 | 1622.0 | 1 |
| TGF-beta receptor type-2 CHEMBL4267 | IC50 | 4.71 | 4.71 | 19630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1373.0 | nM | 5.86 | Inhibition of TGFbeta R1 induced transcriptional activation of p3TP-Lux in mink ... | 16539403 |
| Unchecked | IC50 | = | 1622.0 | nM | 5.79 | Inhibitory activity against TGF-beta-stimulated proliferation in NIH3T3 cells | 16539403 |
| TGF-beta receptor type-1 | IC50 | = | 4740.0 | nM | 5.32 | Inhibition of recombinant human TGFbeta R1 expressed in Sf9 cells | 16539403 |
| TGF-beta receptor type-2 | IC50 | = | 19630.0 | nM | 4.71 | Inhibition of recombinant human TGFbeta R2 expressed in Sf9 cells | 16539403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-1 | 2 |
| 16539403 | 10.1021/jm058209g | TGF-beta receptor type-2 | 1 |
| 16539403 | 10.1021/jm058209g | Mitogen-activated protein kinase kinase kinase 20 | 1 |
| 16539403 | 10.1021/jm058209g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine