Compound Detail
CHEMBL3799807
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Basic Information
| ChEMBL ID | CHEMBL3799807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSJQROISOSHTBB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.64
ALogP
7
HBA
4
HBD
116.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | IC50 | 6.1 | 6.1 | 790.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of recombinant human N-terminal His6/GST-tagged PAK4 (295 to 591 resi... | 28284095 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of N-terminal His-tagged human PAK4 kinase domain (300 to 591 residue... | 29046238 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of human PAK4 assessed as enzymatic activity incubated for 20 mins by... | 35272236 |
| Serine/threonine-protein kinase PAK 4 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of PAK4 (unknown origin) | 25415869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27117431 | 10.1016/j.bmcl.2016.04.037 | Serine/threonine-protein kinase PAK 4 | 1 |
| 28284095 | 10.1016/j.ejmech.2017.02.063 | Serine/threonine-protein kinase PAK 4 | 1 |
| 29046238 | 10.1016/j.ejmech.2017.09.035 | Serine/threonine-protein kinase PAK 4 | 1 |
| 35272236 | 10.1016/j.bmc.2022.116700 | Serine/threonine-protein kinase PAK 4 | 1 |
| 25415869 | 10.1021/jm501613q | Serine/threonine-protein kinase PAK 4 | 1 |
Data from ChEMBL 36 via Core Engine