Compound Detail
CHEMBL3347528
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Basic Information
| ChEMBL ID | CHEMBL3347528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKNKSXHITXPWPU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.24
ALogP
5
HBA
3
HBD
92.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
| LIM domain kinase 2 CHEMBL5932 | IC50 | 6.79 | 6.79 | 164.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 68.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of LIMK1 (unknown origin) assessed as ADP formation using cofilin-2 p... | - |
| LIM domain kinase 2 | IC50 | = | 164.0 | nM | 6.79 | Inhibition of LIMK2 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00138H | No relevant target | 3 |
| - | 10.1039/C1MD00138H | LIM domain kinase 1 | 2 |
| - | 10.1039/C1MD00138H | LIM domain kinase 2 | 1 |
| - | 10.1039/C1MD00138H | Liver microsome | 1 |
| - | 10.1039/C1MD00138H | Liver | 1 |
Data from ChEMBL 36 via Core Engine