Compound Detail
CHEMBL5555659
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 | CHEMBL5555659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNCFZEVZRYWROV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.81
ALogP
6
HBA
1
HBD
66.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 7.88 | 7.075 | 13.3 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.73 | 7.73 | 18.4 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 7.65 | 7.65 | 22.3 | 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 | = | 13.29 | nM | 7.88 | Inhibition of HPK1 (unknown origin) preincubated for 10 mins followed by ATP add... | 38350360 |
| Tyrosine-protein kinase Lck | IC50 | = | 18.45 | nM | 7.73 | Inhibition of LCK (unknown origin) | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 22.32 | nM | 7.65 | Inhibition of GLK (unknown origin) | 38350360 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 534.65 | nM | 6.27 | 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