Compound Detail
CHEMBL2259642
ETHYL CURCUMIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2259642 |
| Name | ETHYL CURCUMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFBJOIOFNYPMJI-NXZHAISVSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.15
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| DNA topoisomerase 2-alpha CHEMBL1806 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| SK-MEL CHEMBL614914 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 6400.0 | nM | 5.19 | Antioxidant activity assessed as ABTS radical scavenging activity after 5 mins b... | 28438541 |
| DNA topoisomerase 2-alpha | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of Homo sapiens (human) topoisomerase 2 assessed as decatenation of K... | - |
| SK-MEL | IC50 | = | 16000.0 | nM | 4.8 | Cytotoxicity against Homo sapiens (human) SK-MEL cells by neutral red staining | - |
| BT-549 | IC50 | = | 18000.0 | nM | 4.75 | Cytotoxicity against Homo sapiens (human) BT549 cells by neutral red staining | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28438541 | 10.1016/j.bmcl.2017.04.031 | No relevant target | 6 |
| - | 10.1007/s00044-011-9587-3 | DNA topoisomerase 1 | 2 |
| - | 10.1007/s00044-011-9587-3 | DNA topoisomerase 2-alpha | 1 |
| - | 10.1007/s00044-011-9587-3 | LLC-PK1 | 1 |
| - | 10.1007/s00044-011-9587-3 | Vero | 1 |
| - | 10.1007/s00044-011-9587-3 | SK-OV-3 | 1 |
| - | 10.1007/s00044-011-9587-3 | BT-549 | 1 |
| - | 10.1007/s00044-011-9587-3 | KB | 1 |
| - | 10.1007/s00044-011-9587-3 | SK-MEL | 1 |
Data from ChEMBL 36 via Core Engine