Compound Detail
CHEMBL535358
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Basic Information
| ChEMBL ID | CHEMBL535358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOFHYAKUXGQRAX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188128 |
| Active Moiety | CHEMBL1188128 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
4.39
ALogP
6
HBA
3
HBD
115.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 10000.0 | nM | 5.0 | In vitro concentration required to inhibit the TNF-alpha-induced RANTES producti... | 12617920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617920 | 10.1016/s0960-894x(02)01046-6 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 12617920 | 10.1016/s0960-894x(02)01046-6 | A549 | 1 |
Data from ChEMBL 36 via Core Engine