Compound Detail
CHEMBL517117
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Basic Information
| ChEMBL ID | CHEMBL517117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRZPGKHRQCVEAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
4.19
ALogP
4
HBA
2
HBD
63.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of GST-fused human MLK3 | 18714982 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 101.0 | nM | 7.0 | Inhibition of GST-fused human MLK1 | 18714982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18714982 | 10.1021/jm8005838 | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 18714982 | 10.1021/jm8005838 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
Data from ChEMBL 36 via Core Engine