Compound Detail
CHEMBL1087639
TETRAHYDRODEMETHOXYCURCUMIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1087639 |
| Name | TETRAHYDRODEMETHOXYCURCUMIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJFYFYWETUVIHT-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.20
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.75
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.75 | 4.6267 | 18000.0 | 3 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.69 | 4.69 | 20550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 18000.0 | nM | 4.75 | Antitrypanosomal activity against multidrug-resistant Trypanosoma brucei brucei ... | 20004045 |
| Acetylcholinesterase | IC50 | = | 20550.0 | nM | 4.69 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate afte... | 23583510 |
| Trypanosoma brucei brucei | EC50 | = | 22000.0 | nM | 4.66 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 after 48 hrs by ... | 20004045 |
| Trypanosoma brucei brucei | EC50 | = | 34000.0 | nM | 4.47 | Antitrypanosomal activity against diminazene-resistant Trypanosoma brucei brucei... | 20004045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Trypanosoma brucei brucei | 3 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania major | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | Leishmania mexicana | 1 |
| 20004045 | 10.1016/j.ejmech.2009.11.035 | HEK293 | 1 |
| 23583510 | 10.1016/j.bmcl.2013.03.069 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine