Compound Detail
CHEMBL218599
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Basic Information
| ChEMBL ID | CHEMBL218599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCRIHRTWUOZXJX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.6
MW (Da)
0.79
ALogP
5
HBA
4
HBD
96.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of LPS-induced NF-kappaB production in HEK293 cells | 17256835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17256835 | 10.1021/jm061198m | HEK293 | 1 |
| 17256835 | 10.1021/jm061198m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine