Compound Detail
CHEMBL425606
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Basic Information
| ChEMBL ID | CHEMBL425606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQQGYBRTCNYZJZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
5.45
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 6.62 | 6.62 | 237.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 237.0 | nM | 6.62 | Inhibition of LPS-stimulated TNFalpha production in THP1 cells | 16750367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16750367 | 10.1016/j.bmcl.2006.05.050 | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine