Compound Detail
CHEMBL411855
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Basic Information
| ChEMBL ID | CHEMBL411855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQBVCDSXBGGTAZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
5.22
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 24.0 | nM | 7.62 | Antiproliferative activity against mink Mv1Lu-p3TP-Lux cells by luciferase repor... | 18314943 |
| TGF-beta receptor type-1 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of TGFbeta type receptor 1 ALK5 (T204D) expressed in Sf9 cells | 18314943 |
| NIH3T3 | IC50 | = | 51.0 | nM | 7.29 | Antiproliferative activity against mouse NIH3T3 cells by [3H]thymidine assay | 18314943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314943 | 10.1021/jm701199p | TGF-beta receptor type-1 | 1 |
| 18314943 | 10.1021/jm701199p | NON-PROTEIN TARGET | 1 |
| 18314943 | 10.1021/jm701199p | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine