Compound Detail
CHEMBL493911
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Basic Information
| ChEMBL ID | CHEMBL493911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGZVXNSBCSLMND-UHFFFAOYSA-N |
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.21
ALogP
9
HBA
2
HBD
116.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 7.68 | 7.68 | 21.0 | 2 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 7.1 | 7.1 | 79.0 | 2 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 6.4 | 6.4 | 398.0 | 2 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells | 18800763 |
| Rho-associated protein kinase 1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of ROCK1 | 20166671 |
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of MSK1 | 18800763 |
| Ribosomal protein S6 kinase alpha-5 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of MSK1 | 20166671 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 79.0 | nM | 7.1 | Inhibition of human AKT1 | 18800763 |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 79.0 | nM | 7.1 | Inhibition of Akt1 | 20166671 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 398.0 | nM | 6.4 | Inhibition of human AKT3 | 18800763 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 398.0 | nM | 6.4 | Inhibition of Akt3 | 20166671 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human AKT2 | 18800763 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Akt2 | 20166671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800763 | 10.1021/jm8004527 | RAC-alpha 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 |
| 18800763 | 10.1021/jm8004527 | RAC-beta serine/threonine-protein kinase | 1 |
| 18800763 | 10.1021/jm8004527 | RAC-gamma serine/threonine-protein kinase | 1 |
| 20166671 | 10.1021/jm901132v | Rho-associated protein kinase 1 | 1 |
| 20166671 | 10.1021/jm901132v | Ribosomal protein S6 kinase alpha-5 | 1 |
| 20166671 | 10.1021/jm901132v | RAC-alpha serine/threonine-protein kinase | 1 |
| 20166671 | 10.1021/jm901132v | RAC-gamma serine/threonine-protein kinase | 1 |
| 20166671 | 10.1021/jm901132v | RAC-beta serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine