Compound Detail
CHEMBL4749353
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Basic Information
| ChEMBL ID | CHEMBL4749353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBKFQGAJZUOGMZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
2.61
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 9.11 | 9.09 | 0.8 | 2 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.05 | 8.05 | 8.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 0.78 | nM | 9.11 | In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... | - |
| Rho-associated protein kinase 2 | IC50 | = | 0.85 | nM | 9.07 | Inhibition of ROCK2 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate ... | 32805407 |
| Rho-associated protein kinase 1 | IC50 | = | 8.9 | nM | 8.05 | Inhibition of ROCK1 (unknown origin) using FITC-AHA-AKRRRLSSLRA-OH as substrate ... | 32805407 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32805407 | 10.1016/j.bmcl.2020.127474 | Rho-associated protein kinase 2 | 1 |
| 32805407 | 10.1016/j.bmcl.2020.127474 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine