Compound Detail
CHEMBL2070618
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Basic Information
| ChEMBL ID | CHEMBL2070618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCVUTSJXFBAJEE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
488.4
MW (Da)
4.79
ALogP
8
HBA
2
HBD
114.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 7.92 | 7.92 | 12.0 | 2 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of LIMK2 | 22902653 |
| LIM domain kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human LIMK1 (312 to 638 residues) expressed in Sf9 cells using dex... | 29908439 |
| LIM domain kinase 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of LIMK1 | 22902653 |
| LIM domain kinase 1 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of human LIMK1 (321 to 647 residues) expressed in Sf9 cells using dex... | 29908439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22902653 | 10.1016/j.bmcl.2012.07.002 | LIM domain kinase 1 | 1 |
| 22902653 | 10.1016/j.bmcl.2012.07.002 | LIM domain kinase 2 | 1 |
| 22902653 | 10.1016/j.bmcl.2012.07.002 | Dual specificity testis-specific protein kinase 1 | 1 |
| 22902653 | 10.1016/j.bmcl.2012.07.002 | Dual specificity testis-specific protein kinase 2 | 1 |
| 29908439 | 10.1016/j.ejmech.2018.06.016 | LIM domain kinase 1 | 1 |
| 29908439 | 10.1016/j.ejmech.2018.06.016 | LIM domain kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine