Compound Detail
CHEMBL492257
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL492257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKGQDPNUCJTZSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.34
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 9 CHEMBL2872 | IC50 | 6.73 | 6.73 | 188.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 11 CHEMBL2708 | IC50 | 6.56 | 6.56 | 274.0 | 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 | = | 188.0 | nM | 6.73 | Inhibition of GST-fused human MLK1 | 18714982 |
| Mitogen-activated protein kinase kinase kinase 11 | IC50 | = | 274.0 | nM | 6.56 | Inhibition of GST-fused human MLK3 | 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