Compound Detail
CHEMBL2286765
TRIDEMORPH Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2286765 |
| Name | TRIDEMORPH |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTOPFCCWCSOHFV-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
297.5
MW (Da)
5.41
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cycloeucalenol cycloisomerase CHEMBL2366413 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Sterol-8,7-isomerase CHEMBL2366492 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Delta(14)-sterol reductase CHEMBL2366411 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol-8,7-isomerase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase | 2591378 |
| Cycloeucalenol cycloisomerase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase | 2591378 |
| Delta(14)-sterol reductase | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using ... | 2591378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2012.12.009 | Monilinia laxa | 10 |
| 38764175 | 10.1021/acs.jmedchem.4c00470 | Candida albicans | 5 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Sterol-8,7-isomerase | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Cycloeucalenol cycloisomerase | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Delta(14)-sterol reductase | 1 |
Data from ChEMBL 36 via Core Engine