Compound Detail
CHEMBL4084843
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Basic Information
| ChEMBL ID | CHEMBL4084843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCJHTMICCQNPF-PZJWPPBQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
5.35
ALogP
2
HBA
0
HBD
22.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.71
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 19330.0 | nM | 4.71 | Cytotoxic activity against human PC3 cells assessed as reduction in cell viabili... | 28011223 |
| SK-OV-3 | IC50 | = | 21340.0 | nM | 4.67 | Cytotoxic activity against human SKOV3 cells assessed as reduction in cell viabi... | 28011223 |
| A549 | IC50 | = | 27450.0 | nM | 4.56 | 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