Compound Detail
CHEMBL174839
FERULENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL174839 |
| Name | FERULENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRSOPHSUKXJKIM-CFBAGHHKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
6.46
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| Squalene--hopene cyclase CHEMBL3569 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 98.0 | nM | 7.01 | Inhibition of rat microsomal VKER | 17275317 |
| Squalene--hopene cyclase | IC50 | = | 90000.0 | nM | 4.05 | Inhibitory activity against squalene hopene cyclase from Alicyclobacillus acidoc... | 15050630 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.bse.2012.02.012 | Myzus persicae | 7 |
| 15050630 | 10.1016/j.bmcl.2004.01.085 | Squalene--hopene cyclase | 1 |
| 17275317 | 10.1016/j.bmc.2007.01.014 | Unchecked | 1 |
| 15620264 | 10.1021/np049706n | Mycolicibacterium fortuitum | 1 |
| 15620264 | 10.1021/np049706n | Mycolicibacterium phlei | 1 |
| 15620264 | 10.1021/np049706n | Mycolicibacterium aurum | 1 |
| 15620264 | 10.1021/np049706n | Mycolicibacterium smegmatis | 1 |
| 23369537 | 10.1016/j.bmcl.2012.12.096 | Mycobacterium sp. | 1 |
Data from ChEMBL 36 via Core Engine