Compound Detail
CHEMBL5182402
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Basic Information
| ChEMBL ID | CHEMBL5182402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRCKLYFDWWYCLS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.29
ALogP
5
HBA
2
HBD
57.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | Ki | = | 5.0 | nM | 8.3 | Inhibition of ROCK1 (unknown origin) | 33481605 |
| Rho-associated protein kinase 2 | Ki | = | 14.0 | nM | 7.85 | Inhibition of ROCK2 (unknown origin) | 33481605 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Rho-associated protein kinase 1 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine