Compound Detail
CHEMBL2023161
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Basic Information
| ChEMBL ID | CHEMBL2023161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRRAUFVOVSRECG-FQEVSTJZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.47
ALogP
3
HBA
3
HBD
74.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 4.51 | 4.51 | 31010.0 | 2 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 4.48 | 4.48 | 32920.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 31010.0 | nM | 4.51 | Inhibition of human His-puritin-tagged ROCK1 expressed in Sf9 cells after 1 hr b... | 22272748 |
| Rho-associated protein kinase 1 | IC50 | = | 31010.0 | nM | 4.51 | FRET-Based Enzyme-Coupled Assay: A robust FRET-based, enzyme-coupled assay forma... | - |
| Rho-associated protein kinase 2 | IC50 | = | 32920.0 | nM | 4.48 | Inhibition of ROCK2 after 1 hr by FRET-based enzyme-coupled assay | 22272748 |
| Rho-associated protein kinase 2 | IC50 | = | 32920.0 | nM | 4.48 | FRET-Based Enzyme-Coupled Assay: A robust FRET-based, enzyme-coupled assay forma... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22272748 | 10.1021/jm201289r | Rho-associated protein kinase 1 | 1 |
| 22272748 | 10.1021/jm201289r | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine