Compound Detail
CHEMBL1983199
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Basic Information
| ChEMBL ID | CHEMBL1983199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIXZXOAVQZOEAS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
510.2
MW (Da)
7.36
ALogP
1
HBA
2
HBD
40.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs... | - |
| HeLa | IC50 | = | 5500.0 | nM | 5.26 | Cytotoxicity against human HeLa cells assessed as growth inhibition after 48 hrs... | - |
| A549 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human A549 cells assessed as growth inhibition after 48 hrs... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0764-4 | Staphylococcus aureus | 4 |
| - | 10.1007/s00044-013-0764-4 | Enterococcus faecalis | 2 |
| - | 10.1007/s00044-013-0764-4 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-013-0764-4 | Escherichia coli | 1 |
| - | 10.1039/C2MD20098H | MCF7 | 1 |
| - | 10.1039/C2MD20098H | HeLa | 1 |
| - | 10.1039/C2MD20098H | A549 | 1 |
| 37859718 | 10.1039/d3md00214d | Leishmania donovani | 1 |
Data from ChEMBL 36 via Core Engine