Compound Detail
CHEMBL2070617
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Basic Information
| ChEMBL ID | CHEMBL2070617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTHYJGOTWRWQBV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
4.53
ALogP
9
HBA
1
HBD
112.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 6.7 | 6.7 | 202.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.55 | 6.55 | 284.0 | 1 |
| Dual specificity testis-specific protein kinase 2 CHEMBL2069163 | IC50 | 5.56 | 5.56 | 2740.0 | 1 |
| Dual specificity testis-specific protein kinase 1 CHEMBL5604 | IC50 | 4.92 | 4.92 | 11910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 202.0 | nM | 6.7 | Inhibition of LIMK2 | 22902653 |
| LIM domain kinase 1 | IC50 | = | 284.0 | nM | 6.55 | Inhibition of LIMK1 | 22902653 |
| Dual specificity testis-specific protein kinase 2 | IC50 | = | 2740.0 | nM | 5.56 | Inhibition of TESK2 | 22902653 |
| Dual specificity testis-specific protein kinase 1 | IC50 | = | 11910.0 | nM | 4.92 | Inhibition of TESK1 | 22902653 |
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 |
Data from ChEMBL 36 via Core Engine