Compound Detail
CHEMBL492258
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Basic Information
| ChEMBL ID | CHEMBL492258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFKOYMDZLSTZJN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.12
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 7.18 | 6.945 | 66.0 | 2 |
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 6.8 | 6.8 | 159.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of GST-fused human MLK1 | 18714982 |
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 159.0 | nM | 6.8 | Inhibition of GST-fused human MLK3 | 18714982 |
| Mitogen-activated protein kinase kinase kinase 9 | IC50 | = | 196.0 | nM | 6.71 | Inhibition of GST-fused human MLK1 expressed in CHO cells assessed as MKK4 phosp... | 18714982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18714982 | 10.1021/jm8005838 | Mitogen-activated protein kinase kinase kinase 9 | 2 |
| 18714982 | 10.1021/jm8005838 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
Data from ChEMBL 36 via Core Engine