Compound Detail
CHEMBL257041
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CC(C)(C)c1cc(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL257041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APFPMAPUIYGXQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.6
MW (Da)
4.86
ALogP
7
HBA
1
HBD
85.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of LPS-induced TNFalpha production in human THP1 cells | 18325768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18325768 | 10.1016/j.bmcl.2008.02.033 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine