Compound Detail
CHEMBL409525
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Basic Information
| ChEMBL ID | CHEMBL409525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSRFPPWMSAHCM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.05
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
EC50 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of TGFbeta type receptor 1 ALK5 (T204D) expressed in Sf9 cells | 18314943 |
| NON-PROTEIN TARGET | IC50 | = | 29.0 | nM | 7.54 | Antiproliferative activity against mink Mv1Lu-p3TP-Lux cells by luciferase repor... | 18314943 |
| NIH3T3 | IC50 | = | 98.0 | nM | 7.01 | Antiproliferative activity against mouse NIH3T3 cells by [3H]thymidine assay | 18314943 |
| Mus musculus | EC50 | = | 310.0 | nM | 6.51 | Inhibition of TGFbeta type receptor 1 in orally dosed human Calu6 cells xenograf... | 18314943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18314943 | 10.1021/jm701199p | Unchecked | 4 |
| 18314943 | 10.1021/jm701199p | Mus musculus | 2 |
| 18314943 | 10.1021/jm701199p | MAP kinase-activated protein kinase 2 | 2 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 1 | 1 |
| 18314943 | 10.1021/jm701199p | Fibroblast growth factor receptor 3 | 1 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 12 | 1 |
| 18314943 | 10.1021/jm701199p | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 9 | 1 |
| 18314943 | 10.1021/jm701199p | Glycogen synthase kinase-3 beta | 1 |
| 18314943 | 10.1021/jm701199p | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18314943 | 10.1021/jm701199p | Caco-2 | 1 |
| 18314943 | 10.1021/jm701199p | ADMET | 1 |
| 18314943 | 10.1021/jm701199p | TGF-beta receptor type-1 | 1 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 11 | 1 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 10 | 1 |
| 18314943 | 10.1021/jm701199p | Tyrosine-protein kinase Fyn | 1 |
| 18314943 | 10.1021/jm701199p | Dual specificity mitogen-activated protein kinase kinase 6 | 1 |
| 18314943 | 10.1021/jm701199p | Mitogen-activated protein kinase 14 | 1 |
| 18314943 | 10.1021/jm701199p | Tyrosine-protein kinase Lck | 1 |
| 18314943 | 10.1021/jm701199p | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine