Compound Detail
CHEMBL4064068
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Basic Information
| ChEMBL ID | CHEMBL4064068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCJFEWWMFMUUJZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
2.67
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Kd 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Kd | 7.8 | 7.8 | 16.0 | 1 |
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | Ki | 5.56 | 5.56 | 2750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | Kd | = | 16.0 | nM | 7.8 | Binding affinity to biotin-labeled human truncated PAK4 kinase domain by surface... | 29190083 |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 16.0 | nM | 7.8 | Inhibition of human PAK4 kinase domain using coumarin and fluorescein-labeled se... | 29190083 |
| Serine/threonine-protein kinase PAK 1 | Ki | = | 2750.0 | nM | 5.56 | Inhibition of human PAK1 kinase domain using coumarin and fluorescein-labeled se... | 29190083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29190083 | 10.1021/acs.jmedchem.7b01342 | Serine/threonine-protein kinase PAK 4 | 2 |
| 29190083 | 10.1021/acs.jmedchem.7b01342 | Serine/threonine-protein kinase PAK 1 | 1 |
| 29190083 | 10.1021/acs.jmedchem.7b01342 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine