Compound Detail
CHEMBL5557696
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Basic Information
| ChEMBL ID | CHEMBL5557696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIASVIHRSPCQKW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
5.25
ALogP
3
HBA
2
HBD
73.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| LIM domain kinase 2 CHEMBL5932 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | Ki | = | 13.0 | nM | 7.89 | Inhibition of LIMK1 (unknown origin) assessed as inhibition constant by LanthScr... | 38669909 |
| LIM domain kinase 2 | Ki | = | 25.0 | nM | 7.6 | Inhibition of LIMK2 (unknown origin) assessed as inhibition constant by LanthScr... | 38669909 |
| HeLa | EC50 | = | 22000.0 | nM | 4.66 | Cytotoxicity against human HeLa cells assessed as induction of cell death measur... | 38669909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38669909 | 10.1016/j.ejmech.2024.116391 | LIM domain kinase 1 | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | LIM domain kinase 2 | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | Rho-associated protein kinase 1 | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | Rho-associated protein kinase 2 | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | HeLa | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | Fibroblast | 1 |
| 38669909 | 10.1016/j.ejmech.2024.116391 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine