Compound Detail
CHEMBL393890
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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3cccc(N4CCOCC4)c3)c3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL393890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKTLTPXXGDRZGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
7.78
ALogP
5
HBA
2
HBD
71.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 1350.0 | nM | 5.87 | Inhibition of LPS-induced TNFalpha production in THP1 cells | 17560108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17560108 | 10.1016/j.bmcl.2007.05.042 | THP-1 | 1 |
| 17560108 | 10.1016/j.bmcl.2007.05.042 | Blood | 1 |
Data from ChEMBL 36 via Core Engine