Compound Detail
CHEMBL5558493
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Basic Information
| ChEMBL ID | CHEMBL5558493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHDNUKFNBPWKLI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.77
ALogP
5
HBA
2
HBD
91.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | Ki | = | 180.0 | nM | 6.75 | Inhibition of LIMK2 (unknown origin) assessed as inhibition constant by LanthScr... | 38669909 |
| LIM domain kinase 1 | Ki | = | 190.0 | nM | 6.72 | Inhibition of LIMK1 (unknown origin) assessed as inhibition constant by LanthScr... | 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 |
Data from ChEMBL 36 via Core Engine