Compound Detail
CHEMBL218282
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Basic Information
| ChEMBL ID | CHEMBL218282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOEDCWABCFOHBX-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
518.9
MW (Da)
5.87
ALogP
5
HBA
4
HBD
96.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
30
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| J774.1 CHEMBL4296442 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Transcription factor p65 CHEMBL5533 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.06 | 4.8733 | 8800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of LPS-induced NF-kappaB production in HEK293 cells | 17256835 |
| J774.1 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of LPS-induced nitric oxide production in murine J774.1 cells by auto... | 17256835 |
| Transcription factor p65 | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of NF-kappaB in human HEK293 cells | 17010608 |
| Blood | IC50 | = | 8800.0 | nM | 5.06 | Inhibition of LPS-induced IL6 release in human whole blood | 17256835 |
| Blood | IC50 | = | 15400.0 | nM | 4.81 | Inhibition of LPS-induced IL8 release in human whole blood | 17256835 |
| Blood | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of LPS-induced TNFalpha release in human whole blood | 17256835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256835 | 10.1021/jm061198m | Blood | 3 |
| 17010608 | 10.1016/j.bmcl.2006.09.026 | Transcription factor p65 | 1 |
| 17010608 | 10.1016/j.bmcl.2006.09.026 | Unchecked | 1 |
| 17256835 | 10.1021/jm061198m | HEK293 | 1 |
| 17256835 | 10.1021/jm061198m | J774.1 | 1 |
| 17256835 | 10.1021/jm061198m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine