Compound Detail
CHEMBL2253388
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C=C(CC[C@@H](C)[C@H]1CCN=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2253388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZFNKAMRJSGWIF-QOPGFCJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
411.7
MW (Da)
7.13
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta(14)-sterol reductase CHEMBL2366411 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Sterol-8,7-isomerase CHEMBL2366492 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta(14)-sterol reductase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Zea mays (maize) microsomal delta 8,14-steroid 14-reductase using ... | 2591378 |
| Sterol-8,7-isomerase | IC50 | = | 800.0 | nM | 6.1 | Inhibition of Zea mays (maize) delta8,delta7-sterol isomerase | 2591378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Delta(14)-sterol reductase | 2 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Cycloeucalenol cycloisomerase | 1 |
| 2591378 | 10.1111/j.1432-1033.1989.tb15156.x | Sterol-8,7-isomerase | 1 |
Data from ChEMBL 36 via Core Engine