Compound Detail
CHEMBL4212000
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Basic Information
| ChEMBL ID | CHEMBL4212000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWHJQNYQCGOKEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.3
MW (Da)
3.45
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 7.6 | nM | 8.12 | Inhibition of AKT1 (unknown origin) using biotinylated-STK as substrate after 45... | 28704757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28704757 | 10.1016/j.ejmech.2017.06.067 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine