Compound Detail
CHEMBL3797875
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CN(C)C1(C(=O)Nc2cccc(S(C)(=O)=O)c2)CCN(c2ncnc3[nH]c4c(c23)CCCC4)CC1
Basic Information
| ChEMBL ID | CHEMBL3797875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZRAQVDLSJCYGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
2.78
ALogP
7
HBA
2
HBD
111.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human LIMK2 using cofilin as substrate preincubated for 20 mins fo... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00473J | LIM domain kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine