Compound Detail
CHEMBL3347685
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Basic Information
| ChEMBL ID | CHEMBL3347685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYEICOPPQCHSRF-SNVBAGLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
2.70
ALogP
6
HBA
3
HBD
124.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.53 | 6.53 | 294.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 294.0 | nM | 6.53 | Inhibition of LIMK1 (unknown origin) assessed as ADP formation using cofilin-2 p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00138H | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine