Compound Detail
CHEMBL249211
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Basic Information
| ChEMBL ID | CHEMBL249211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICLUXABDISCHCE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
397.0
MW (Da)
3.72
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.37 | 6.37 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of IL-1-alpha-induced NF-kappaB activation in HeLa cells assessed as ... | 17845850 |
| Unchecked | IC50 | = | 430.0 | nM | 6.37 | Inhibition of NF-kappaB activation | 19726185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17845850 | 10.1016/j.bmcl.2007.01.088 | Unchecked | 1 |
| 19726185 | 10.1016/j.bmcl.2009.08.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine