Compound Detail
CHEMBL493251
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Basic Information
| ChEMBL ID | CHEMBL493251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXXSVEQIIURRGX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
1.81
ALogP
9
HBA
3
HBD
146.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.5 | 6.485 | 32.0 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of RSK1 | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human AKT1 | 18800763 |
| Rho-associated protein kinase 1 | IC50 | = | 158.0 | nM | 6.8 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 3380.0 | nM | 5.47 | Inhibition of AKT-mediated GSK3-beta phosphorylation in human BT474 cells | 18800763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800763 | 10.1021/jm8004527 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18800763 | 10.1021/jm8004527 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 18800763 | 10.1021/jm8004527 | Rho-associated protein kinase 1 | 1 |
| 18800763 | 10.1021/jm8004527 | Ribosomal protein S6 kinase alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine