Compound Detail
CHEMBL5278924
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Basic Information
| ChEMBL ID | CHEMBL5278924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWRIQCPRDVTYTG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.7
MW (Da)
3.78
ALogP
6
HBA
0
HBD
70.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.8 | 5.8 | 1590.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 1590.0 | nM | 5.8 | Inhibition of ROCK1 (unknown origin) | 34388381 |
| Rho-associated protein kinase 2 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of ROCK2 (unknown origin) | 34388381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34388381 | 10.1016/j.ejmech.2021.113742 | Rho-associated protein kinase 1 | 1 |
| 34388381 | 10.1016/j.ejmech.2021.113742 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine