Compound Detail
CHEMBL261762
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Basic Information
| ChEMBL ID | CHEMBL261762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEZARNZQVWOQOM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.9
MW (Da)
4.72
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of TGFbeta type receptor 1 ALK5 (T204D) expressed in Sf9 cells | 18314943 |
| NON-PROTEIN TARGET | IC50 | = | 66.0 | nM | 7.18 | Antiproliferative activity against mink Mv1Lu-p3TP-Lux cells by luciferase repor... | 18314943 |
| NIH3T3 | IC50 | = | 97.0 | nM | 7.01 | 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 |
| 18314943 | 10.1021/jm701199p | ADMET | 1 |
| 18314943 | 10.1021/jm701199p | Liver microsomes | 1 |
| 18314943 | 10.1021/jm701199p | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine