Compound Detail
CHEMBL4763562
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Basic Information
| ChEMBL ID | CHEMBL4763562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKDNUEBNRIFBDZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.11
ALogP
6
HBA
2
HBD
97.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 7.31 | 7.31 | 48.5 | 1 |
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 7.07 | 7.07 | 85.2 | 1 |
| Mitogen-activated protein kinase kinase kinase 6 CHEMBL1163123 | IC50 | 6.7 | 6.7 | 200.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 48.5 | nM | 7.31 | Inhibition of ASK1 (unknown origin) | 32289582 |
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 85.2 | nM | 7.07 | Inhibition of TAK1 (unknown origin) | 32289582 |
| Mitogen-activated protein kinase kinase kinase 6 | IC50 | = | 200.8 | nM | 6.7 | Inhibition of ASK2 (unknown origin) | 32289582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32289582 | 10.1016/j.ejmech.2020.112277 | Unchecked | 2 |
| 32289582 | 10.1016/j.ejmech.2020.112277 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 32289582 | 10.1016/j.ejmech.2020.112277 | Mitogen-activated protein kinase kinase kinase 6 | 1 |
| 32289582 | 10.1016/j.ejmech.2020.112277 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine