Compound Detail
CHEMBL476424
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Basic Information
| ChEMBL ID | CHEMBL476424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHFYKCFTMFLKND-WGDLNXRISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
6.02
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PC-3 CHEMBL390 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PC-3 | IC50 | = | 350.0 | nM | 6.46 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 19243951 |
| A549 | IC50 | = | 3100.0 | nM | 5.51 | Cytotoxicity against human A549 Cells after 24 hrs by MTT assay | 31129455 |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 5000.0 | nM | 5.3 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19243951 | 10.1016/j.bmc.2008.10.044 | KB | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | PC-3 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
| 31129455 | 10.1016/j.ejmech.2019.04.058 | A549 | 1 |
Data from ChEMBL 36 via Core Engine