Compound Detail
CHEMBL493067
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Basic Information
| ChEMBL ID | CHEMBL493067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRMVBDUZCLNCGD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
0.57
ALogP
9
HBA
3
HBD
136.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.2 | 6.2 | 631.0 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of MSK1 | 18800763 |
| Rho-associated protein kinase 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 631.0 | nM | 6.2 | Inhibition of human AKT1 | 18800763 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 3020.0 | nM | 5.52 | Inhibition of human AKT3 | 18800763 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human AKT2 | 18800763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800763 | 10.1021/jm8004527 | RAC-alpha serine/threonine-protein kinase | 1 |
| 18800763 | 10.1021/jm8004527 | RAC-beta serine/threonine-protein kinase | 1 |
| 18800763 | 10.1021/jm8004527 | RAC-gamma serine/threonine-protein kinase | 1 |
| 18800763 | 10.1021/jm8004527 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 18800763 | 10.1021/jm8004527 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine