Compound Detail
CHEMBL4533727
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Basic Information
| ChEMBL ID | CHEMBL4533727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDIDAORRLMVWGF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.81
ALogP
5
HBA
2
HBD
66.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.32 | 5.32 | 4840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of human recombinant GST-tagged ALK5 expressed in Sf9 insect cells us... | 31303386 |
| Mitogen-activated protein kinase 14 | IC50 | = | 4840.0 | nM | 5.32 | Inhibition of human recombinant untagged p38alpha expressed in Escherichia coli ... | 31303386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31303386 | 10.1016/j.bmcl.2019.07.015 | Mitogen-activated protein kinase 14 | 1 |
| 31303386 | 10.1016/j.bmcl.2019.07.015 | TGF-beta receptor type-1 | 1 |
| 31303386 | 10.1016/j.bmcl.2019.07.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine