Compound Detail
CHEMBL557311
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Basic Information
| ChEMBL ID | CHEMBL557311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXCNUJCWUYAUNK-KQQUZDAGSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.02
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor Jun CHEMBL4977 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Nuclear factor NF-kappa-B p105 subunit CHEMBL3251 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.87 | 4.87 | 13640.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.85 | 4.85 | 14030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor Jun | IC50 | = | 1400.0 | nM | 5.85 | Cellular Firefly Luciferase Assay (AP-1): Curcumin is a known inhibitor of the A... | - |
| MDA-MB-231 | IC50 | = | 1520.0 | nM | 5.82 | Cytotoxicity against human MDA-MB-231 cells | 31129455 |
| MCF7 | IC50 | = | 3020.0 | nM | 5.52 | Cytotoxicity against human MCF7 cells | 31129455 |
| Nuclear factor NF-kappa-B p105 subunit | IC50 | = | 6400.0 | nM | 5.19 | Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and a... | - |
| RAW264.7 | IC50 | = | 13640.0 | nM | 4.87 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFN-... | 19359068 |
| HeLa | IC50 | = | 14030.0 | nM | 4.85 | Cytotoxicity against human HeLa Cells | 31129455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19359068 | 10.1016/j.ejmech.2009.03.020 | RAW264.7 | 3 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | No relevant target | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | Radical scavenging activity | 1 |
| 19359068 | 10.1016/j.ejmech.2009.03.020 | Tyrosinase | 1 |
| 20060305 | 10.1016/j.bmc.2009.12.045 | HCT-116 | 1 |
| 31129455 | 10.1016/j.ejmech.2019.04.058 | HeLa | 1 |
| 31129455 | 10.1016/j.ejmech.2019.04.058 | MCF7 | 1 |
| 31129455 | 10.1016/j.ejmech.2019.04.058 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine