Compound Detail
CHEMBL3613618
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Basic Information
| ChEMBL ID | CHEMBL3613618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRWOUEHJMWGBKY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
1.16
ALogP
8
HBA
3
HBD
139.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.62 | 6.62 | 239.0 | 1 |
| LIM domain kinase 2 CHEMBL5932 | IC50 | 6.31 | 6.31 | 494.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 239.0 | nM | 6.62 | Inhibition of LIMK1 (unknown origin) by radiometric assay | 26233434 |
| LIM domain kinase 2 | IC50 | = | 494.0 | nM | 6.31 | Inhibition of LIMK2 (unknown origin) by radiometric assay | 26233434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26233434 | 10.1016/j.bmcl.2015.07.009 | LIM domain kinase 1 | 1 |
| 26233434 | 10.1016/j.bmcl.2015.07.009 | LIM domain kinase 2 | 1 |
| 26233434 | 10.1016/j.bmcl.2015.07.009 | Rho-associated protein kinase 2 | 1 |
| 26233434 | 10.1016/j.bmcl.2015.07.009 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine