Compound Detail
CHEMBL3623439
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Basic Information
| ChEMBL ID | CHEMBL3623439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEZBMVMOFIKXMB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
5.97
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 9.52 | 7.35 | 0.3 | 2 |
| LIM domain kinase 2 CHEMBL5932 | 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 | = | 0.3 | nM | 9.52 | Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expresse... | 26356364 |
| LIM domain kinase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human N-terminal GST-tagged LIMK2 | 26356364 |
| LIM domain kinase 1 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of LIMK1 in human ZR75-1 cells assessed as inhibition of cofilin phos... | 26356364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26356364 | 10.1021/acs.jmedchem.5b01242 | LIM domain kinase 1 | 2 |
| 26356364 | 10.1021/acs.jmedchem.5b01242 | MDA-MB-231 | 2 |
| 26356364 | 10.1021/acs.jmedchem.5b01242 | LIM domain kinase 2 | 1 |
| 26356364 | 10.1021/acs.jmedchem.5b01242 | ADMET | 1 |
| 26356364 | 10.1021/acs.jmedchem.5b01242 | Liver microsome | 1 |
| 26356364 | 10.1021/acs.jmedchem.5b01242 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine