Compound Detail
CHEMBL1685044
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Basic Information
| ChEMBL ID | CHEMBL1685044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYXCDTSHWOVFEL-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
3.91
ALogP
7
HBA
3
HBD
121.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 4.61
Ki 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL5859 | Ki | 4.96 | 4.96 | 11000.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Kd | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | Ki | = | 11000.0 | nM | 4.96 | Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT... | 21353784 |
| RAC-alpha serine/threonine-protein kinase | Kd | = | 24500.0 | nM | 4.61 | SPR Competitive Binding Assay: SPR interaction analyses were performed with a Bi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353784 | 10.1016/j.bmc.2011.01.049 | RAC-alpha serine/threonine-protein kinase | 1 |
| 21353784 | 10.1016/j.bmc.2011.01.049 | BXPC-3 | 1 |
Data from ChEMBL 36 via Core Engine