Compound Detail
CHEMBL5505822
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
CC(C)(O)Cn1nccc1-c1ccc2cc1N[C@H](CO)c1ccccc1OCCCCc1cc(ccc1C#N)N2
Basic Information
| ChEMBL ID | CHEMBL5505822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJIHUSVALIACHS-GDLZYMKVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.7
MW (Da)
5.80
ALogP
8
HBA
4
HBD
115.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 1 CHEMBL5749 | IC50 | 9.1 | 7.66 | 0.8 | 2 |
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 | = | 0.8 | nM | 9.1 | Inhibition of HPK1 (unknown origin) | 38479166 |
| Mitogen-activated protein kinase kinase kinase kinase 1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of HPK1 (unknown origin) assessed as inhibition of SLP76 phosphorylat... | 38479166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38479166 | 10.1016/j.ejmech.2024.116310 | Mitogen-activated protein kinase kinase kinase kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine