Compound Detail
CHEMBL230576
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CCCN(CCC)C(=O)C1CCCN(C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1
Basic Information
| ChEMBL ID | CHEMBL230576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUQQUTZZGGSLLU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
6.04
ALogP
6
HBA
1
HBD
104.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 22 CHEMBL3924 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 22 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of GST-tagged human recombinant JSP1 | 17303416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17303416 | 10.1016/j.bmcl.2007.01.094 | Dual specificity protein phosphatase 22 | 1 |
Data from ChEMBL 36 via Core Engine