Compound Detail
CHEMBL3797519
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CN(C)C1(C(=O)Nc2cccc(-c3ccccc3)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
Basic Information
| ChEMBL ID | CHEMBL3797519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKTNBFFMIICAFJ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
5.04
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 10.0 | 9.4333 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of LIMK2 (unknown origin) | 29908439 |
| LIM domain kinase 2 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human LIMK2 using cofilin as substrate preincubated for 20 mins fo... | - |
| LIM domain kinase 2 | IC50 | = | 0.7 | nM | 9.15 | Inhibition of LIMK2 (unknown origin) in presence of ATP at 200 uM | 29908439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29908439 | 10.1016/j.ejmech.2018.06.016 | LIM domain kinase 2 | 2 |
| - | 10.1039/C5MD00473J | LIM domain kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine