Compound Detail
CHEMBL5080222
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Basic Information
| ChEMBL ID | CHEMBL5080222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWUJFRFAZPUKCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
5.19
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against human A549 cells assessed as reduction in cell viability | 34416378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34416378 | 10.1016/j.bmcl.2021.128327 | A549 | 2 |
Data from ChEMBL 36 via Core Engine