Compound Detail
CHEMBL217910
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Basic Information
| ChEMBL ID | CHEMBL217910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOZIUFZJCBEIGY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.24
ALogP
3
HBA
3
HBD
86.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant ROCK1 expressed in Sf9 cells at 10 mM | 17201405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201405 | 10.1021/jm0609014 | Rho-associated protein kinase 1 | 1 |
| 17201405 | 10.1021/jm0609014 | Thoracic aorta | 1 |
| 17201405 | 10.1021/jm0609014 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 17201405 | 10.1021/jm0609014 | Ribosomal protein S6 kinase beta-1 | 1 |
Data from ChEMBL 36 via Core Engine