Compound Detail
CHEMBL428462
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Basic Information
| ChEMBL ID | CHEMBL428462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZMOSYUFVYJEPY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
337.9
MW (Da)
4.40
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 7.77 | 6.26 | 17.0 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-beta serine/threonine-protein kinase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of PKBbeta (unknown origin) using (HARKRERTYSFGHHA) as substrate incu... | 36462440 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of PKBalpha (unknown origin) | 36462440 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 47.0 | nM | 7.33 | Inhibition of PKBgamma (unknown origin) | 36462440 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of PKBbeta by radiometric filter binding assay | 17451234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19604696 | 10.1016/j.bmcl.2009.06.078 | RAC-beta serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17451234 | 10.1021/jm070091b | RAC-beta serine/threonine-protein kinase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 26486225 | 10.1021/acs.jmedchem.5b00683 | Rho-associated protein kinase 2 | 1 |
| 36462440 | 10.1016/j.ejmech.2022.114971 | RAC-alpha serine/threonine-protein kinase | 1 |
| 36462440 | 10.1016/j.ejmech.2022.114971 | RAC-gamma serine/threonine-protein kinase | 1 |
| 36462440 | 10.1016/j.ejmech.2022.114971 | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine