Compound Detail
CHEMBL5275331
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Basic Information
| ChEMBL ID | CHEMBL5275331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PURJEHNDMPZCCY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.9
MW (Da)
5.67
ALogP
4
HBA
0
HBD
42.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human LIMK1 (321 to 647 residues) expressed in Sf9 cells using dex... | 29908439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29908439 | 10.1016/j.ejmech.2018.06.016 | LIM domain kinase 1 | 1 |
| 29908439 | 10.1016/j.ejmech.2018.06.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine