Compound Detail
CHEMBL493874
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Basic Information
| ChEMBL ID | CHEMBL493874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSASGHSLMIIWAY-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
0.93
ALogP
10
HBA
3
HBD
151.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.22 | 7.1 | 6.0 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.3 | 6.3 | 501.0 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 5.9 | 5.9 | 1259.0 | 1 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 4.8 | 4.8 | 15850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of human AKT1 | 18800763 |
| Rho-associated protein kinase 1 | IC50 | = | 501.0 | nM | 6.3 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 1050.0 | nM | 5.98 | Inhibition of AKT-mediated GSK3-beta phosphorylation in human BT474 cells | 18800763 |
| Ribosomal protein S6 kinase alpha-1 | IC50 | = | 1259.0 | nM | 5.9 | Inhibition of RSK1 | 18800763 |
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 15850.0 | nM | 4.8 | Inhibition of MSK1 | 18800763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800763 | 10.1021/jm8004527 | RAC-alpha serine/threonine-protein kinase | 2 |
| 18800763 | 10.1021/jm8004527 | Unchecked | 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