Compound Detail
CHEMBL5082373
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Basic Information
| ChEMBL ID | CHEMBL5082373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAMXHRQDDBIXPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
4.74
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 780.0 | nM | 6.11 | 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