Compound Detail
CHEMBL5181311
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O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N(Cc1ccccc1)Cc1cn(Cc2ccccc2Cl)nn1
Basic Information
| ChEMBL ID | CHEMBL5181311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYNRZTXCSUROSS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
572.1
MW (Da)
5.62
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 2 CHEMBL5932 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 2 | IC50 | = | 61.0 | nM | 7.21 | Inhibition of recombinant full length LIMK2 (330 to 632 residues) (unknown origi... | 36136092 |
| LIM domain kinase 1 | IC50 | = | 117.0 | nM | 6.93 | Inhibition of recombinant full length LIMK1 (330 to 637 residues) (unknown origi... | 36136092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36136092 | 10.1021/acs.jmedchem.2c01106 | LIM domain kinase 1 | 2 |
| 36136092 | 10.1021/acs.jmedchem.2c01106 | LIM domain kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine