Compound Detail
CHEMBL3219024
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Basic Information
| ChEMBL ID | CHEMBL3219024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDECALZHPDNOHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
1.69
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine