Compound Detail
CHEMBL3580667
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Basic Information
| ChEMBL ID | CHEMBL3580667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXQGBBYXXQZSKI-MSRIBSCDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
2.43
ALogP
7
HBA
3
HBD
95.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 CHEMBL4482 | Ki | 8.7 | 8.55 | 2.0 | 2 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PAK 4 | Ki | = | 2.0 | nM | 8.7 | Inhibition of human PAK4 | 26030457 |
| Serine/threonine-protein kinase PAK 4 | Ki | = | 4.0 | nM | 8.4 | Inhibition of PAK4 (unknown origin) assessed as inhibition constant | 25415869 |
| Serine/threonine-protein kinase PAK 1 | Ki | = | 50.0 | nM | 7.3 | Inhibition of PAK1 (unknown origin) | 26030457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26030457 | 10.1021/acs.jmedchem.5b00572 | Serine/threonine-protein kinase PAK 1 | 1 |
| 26030457 | 10.1021/acs.jmedchem.5b00572 | 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