Compound Detail
CHEMBL5558967
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 | CHEMBL5558967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXGLKAJWKHWEPI-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
4.71
ALogP
5
HBA
1
HBD
57.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 7.71 | 6.925 | 19.5 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 19.51 | nM | 7.71 | Inhibition of HPK1 (unknown origin) preincubated for 10 mins followed by ATP add... | 38350360 |
| Tyrosine-protein kinase Lck | IC50 | = | 28.0 | nM | 7.55 | Inhibition of LCK (unknown origin) | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 30.24 | nM | 7.52 | Inhibition of GLK (unknown origin) | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 725.45 | nM | 6.14 | Inhibition of HPK1 in human Jurkat cells assessed as decrease in SLP-76 phosphor... | 38350360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38350360 | 10.1016/j.ejmech.2024.116206 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | Mitogen-activated protein kinase kinase kinase kinase 3 | 1 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | Tyrosine-protein kinase Lck | 1 |
| 38350360 | 10.1016/j.ejmech.2024.116206 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine