Compound Detail
CHEMBL4584495
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Basic Information
| ChEMBL ID | CHEMBL4584495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKKDSRACISNOLY-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
3.54
ALogP
6
HBA
0
HBD
71.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.8 | 8.1667 | 1.6 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 1.6 | nM | 8.8 | Inhibition of His-tagged TGFBR1 kinase domain T204D mutant (unknown origin) incu... | 32071685 |
| TGF-beta receptor type-1 | IC50 | = | 1.6 | nM | 8.8 | Biological Assay: Assays for the compounds reported below were conducted in 1536... | - |
| TGF-beta receptor type-1 | IC50 | = | 1.6 | nM | 8.8 | Biological Assay: Assays for the compounds reported below were conducted in 1536... | - |
| TGF-beta receptor type-1 | IC50 | = | 1.6 | nM | 8.8 | Biological Assay: Assays for the compounds reported below were conducted in 1536... | - |
| TGF-beta receptor type-1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of TGFBR1 in TGFbeta-stimulated human NHLF cells assessed as reductio... | 32071685 |
| TGF-beta receptor type-1 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of TGFbetaR1 in TGFbeta-stimulated mink Mv1Lu cells assessed as reduc... | 32071685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32071685 | 10.1021/acsmedchemlett.9b00552 | TGF-beta receptor type-1 | 3 |
| 32071685 | 10.1021/acsmedchemlett.9b00552 | ADMET | 3 |
| 32071685 | 10.1021/acsmedchemlett.9b00552 | TGF-beta receptor type-2 | 1 |
| 32071685 | 10.1021/acsmedchemlett.9b00552 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine