Compound Detail
CHEMBL597414
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Basic Information
| ChEMBL ID | CHEMBL597414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHFNPMSBZFZRSQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.3
MW (Da)
3.81
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1.9 | nM | 8.72 | Inhibition of PKB in human PC3M cells assessed as GSK3-beta phosphorylation by E... | 20151677 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 8.5 | nM | 8.07 | Inhibition of PKBbeta by radiometric filter binding assay | 20151677 |
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of PKA by radiometric filter binding assay | 20151677 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20151677 | 10.1021/jm901788j | Unchecked | 2 |
| 20151677 | 10.1021/jm901788j | RAC-alpha serine/threonine-protein kinase | 2 |
| 20151677 | 10.1021/jm901788j | NON-PROTEIN TARGET | 2 |
| 20151677 | 10.1021/jm901788j | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine