Compound Detail
CHEMBL3622871
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Basic Information
| ChEMBL ID | CHEMBL3622871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBENURGLPWKCQB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
5.00
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.72
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 7.09 | 6.3733 | 82.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expresse... | 26356364 |
| LIM domain kinase 1 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human LIMK1 (321 to 647 residues) expressed in Sf9 cells using dex... | 29908439 |
| LIM domain kinase 1 | IC50 | = | 11500.0 | nM | 4.94 | 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 |
| 29908439 | 10.1016/j.ejmech.2018.06.016 | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine