Compound Detail
CHEMBL3623442
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Basic Information
| ChEMBL ID | CHEMBL3623442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTTBQAOPTOOIMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.9
MW (Da)
5.43
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| LIM domain kinase 2 CHEMBL5932 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expresse... | 26356364 |
| LIM domain kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human N-terminal GST-tagged LIMK2 | 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