Compound Detail
CHEMBL4081847
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Basic Information
| ChEMBL ID | CHEMBL4081847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHRIDPWQMBQOMW-HQRMLTQVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.35
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.0 | 4.0 | 99590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 99590.0 | nM | 4.0 | Cytotoxic activity against human A549 cells assessed as reduction in cell viabil... | 28011223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28011223 | 10.1016/j.bmcl.2016.12.032 | SK-OV-3 | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | PC-3 | 1 |
| 28011223 | 10.1016/j.bmcl.2016.12.032 | A549 | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Staphylococcus aureus | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Bacillus subtilis | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Escherichia coli | 1 |
| 29153424 | 10.1016/j.bmcl.2017.11.014 | Pseudomonas fluorescens | 1 |
Data from ChEMBL 36 via Core Engine