Compound Detail
CHEMBL2430212
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Basic Information
| ChEMBL ID | CHEMBL2430212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNKONBOGWPVFGH-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
8.01
ALogP
0
HBA
2
HBD
31.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 4.38 | 4.38 | 41800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 3500.0 | nM | 5.46 | Cytotoxicity against human MCF7 cells assessed as growth inhibition after 48 hrs... | - |
| HeLa | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against human HeLa cells assessed as growth inhibition after 48 hrs... | - |
| A549 | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against human A549 cells assessed as growth inhibition after 48 hrs... | - |
| Leishmania donovani | IC50 | = | 41800.0 | nM | 4.38 | Antileishmanial activity against Leishmania donovani MHOM/IN/80/Dd8 promastigote... | 37859718 |
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 |
| - | 10.1039/C2MD20098H | HeLa | 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 | A549 | 1 |
| 32220687 | 10.1016/j.ejmech.2020.112245 | Staphylococcus aureus | 1 |
| 37859718 | 10.1039/d3md00214d | Leishmania donovani | 1 |
| 37859718 | 10.1039/d3md00214d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine