Compound Detail
CHEMBL228114
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL228114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTXZCNATVCIKTR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
158.2
MW (Da)
2.39
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of PKBbeta by radiometric filter binding assay | 17451234 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of protein kinase B | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17451234 | 10.1021/jm070091b | RAC-beta serine/threonine-protein kinase | 1 |
| 18457385 | 10.1021/jm8000373 | RAC-alpha serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine