Compound Detail
CHEMBL3613594
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Basic Information
| ChEMBL ID | CHEMBL3613594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYHWYOLLASBNRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
3.24
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 8700.0 | nM | 5.06 | Inhibition of human PAK4 using myelin basic protein as substrate incubated for 4... | 27117431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26231159 | 10.1016/j.bmcl.2015.07.037 | Non-receptor tyrosine-protein kinase TYK2 | 4 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | Serine/threonine-protein kinase PAK 4 | 3 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | DNA-dependent protein kinase catalytic subunit | 1 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | CDK4/Cyclin D3 | 1 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | Aurora kinase C | 1 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | Aurora kinase B | 1 |
| 27117431 | 10.1016/j.bmcl.2016.04.037 | No relevant target | 1 |
| 38346577 | 10.1016/j.bmcl.2024.129652 | Mitogen-activated protein kinase kinase kinase 9 | 1 |
| 38346577 | 10.1016/j.bmcl.2024.129652 | Mitogen-activated protein kinase kinase kinase 11 | 1 |
Data from ChEMBL 36 via Core Engine