Compound Detail
CHEMBL4759911
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Basic Information
| ChEMBL ID | CHEMBL4759911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXSVCLUDQARGGX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.24
ALogP
4
HBA
3
HBD
82.3
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 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TGF-beta receptor type-1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant human GST-fused ALK5 expressed in baculovirus infected... | 33677350 |
| Mitogen-activated protein kinase 14 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of recombinant human p38alpha expressed in Escherichia coli assessed ... | 33677350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33677350 | 10.1016/j.ejmech.2021.113311 | TGF-beta receptor type-1 | 2 |
| 33677350 | 10.1016/j.ejmech.2021.113311 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine