Compound Detail
CHEMBL570820
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Basic Information
| ChEMBL ID | CHEMBL570820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQXGSDPBFXEDBN-LBPRGKRZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
447.3
MW (Da)
3.91
ALogP
4
HBA
2
HBD
77.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 8.18 | 8.18 | 6.6 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 3.2 | nM | 8.49 | Inhibition of human recombinant LIMK2 expressed in baculovirus-Sf9 system by sci... | 19831390 |
| LIM domain kinase 1 | IC50 | = | 6.6 | nM | 8.18 | Inhibition of LIMK1 | 19831390 |
| Rho-associated protein kinase 1 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of human ROCK1 expressed in baculovirus system | 19831390 |
| Rho-associated protein kinase 2 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human ROCK2 | 19831390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19831390 | 10.1021/jm901226j | Unchecked | 3 |
| 19831390 | 10.1021/jm901226j | LIM domain kinase 2 | 1 |
| 19831390 | 10.1021/jm901226j | LIM domain kinase 1 | 1 |
| 19831390 | 10.1021/jm901226j | Rho-associated protein kinase 1 | 1 |
| 19831390 | 10.1021/jm901226j | Rho-associated protein kinase 2 | 1 |
| 19831390 | 10.1021/jm901226j | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine