Compound Detail
CHEMBL387748
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Basic Information
| ChEMBL ID | CHEMBL387748 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVFWZNDJPVECNU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.87
ALogP
6
HBA
2
HBD
103.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| Serine/threonine-protein kinase D1 CHEMBL3863 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.99 | 5.99 | 1030.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human recombinant ALK5 phosphorylation expressed in Sf9 cells | 17552507 |
| TGF-beta receptor type-1 | IC50 | = | 12.0 | nM | 7.92 | Antagonistic activity at TGFBR1 | 20176484 |
| Serine/threonine-protein kinase D1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of PKCmu | 17552507 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of p38alpha | 17552507 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of human recombinant p38alpha MAPK expressed in Escherichia coli by r... | 18571921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17552507 | 10.1021/jm070129k | Unchecked | 35 |
| 17552507 | 10.1021/jm070129k | TGF-beta receptor type-1 | 5 |
| 20176484 | 10.1016/j.bmcl.2010.01.140 | TGF-beta receptor type-1 | 2 |
| 17552507 | 10.1021/jm070129k | Mitogen-activated protein kinase 9 | 1 |
| 17552507 | 10.1021/jm070129k | Mitogen-activated protein kinase 14 | 1 |
| 17552507 | 10.1021/jm070129k | Serine/threonine-protein kinase D1 | 1 |
| 18571921 | 10.1016/j.bmcl.2008.06.007 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine