Compound Detail
CHEMBL17413
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL17413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOBWPNVQJOHAFG-LEUOFYLZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
3.31
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta(14)-sterol reductase CHEMBL2366411 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Cycloeucalenol cycloisomerase CHEMBL2366413 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Sterol-8,7-isomerase CHEMBL2366492 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta(14)-sterol reductase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using ... | 2591378 |
| Cycloeucalenol cycloisomerase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Zea mays (maize) cycloeucalenol-obtusifolial isomerase | 2591378 |
| Sterol-8,7-isomerase | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase | 2591378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80309-1 | Lanosterol synthase | 1 |
| 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