Compound Detail
CHEMBL256368
PENTENAL 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 | CHEMBL256368 |
| Name | PENTENAL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTCCTIQRPGSLPT-ONEGZZNKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
84.1
MW (Da)
1.15
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 5.3 | 5.3 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 5000.0 | nM | 5.3 | Activation of TRPA1 | 17237762 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 5000.0 | nM | 5.3 | Activation of TRPA1 channel | 20356305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10995371 | 10.1021/jf000233+ | Myzus persicae | 5 |
| 10995371 | 10.1021/jf000233+ | Lactuca sativa | 5 |
| 10995371 | 10.1021/jf000233+ | Vitis vinifera | 2 |
| 10995371 | 10.1021/jf000233+ | Brassica oleracea var. italica | 2 |
| 10995371 | 10.1021/jf000233+ | Brassica oleracea var. capitata | 2 |
| 10995371 | 10.1021/jf000233+ | Phaseolus vulgaris | 1 |
| 32871343 | 10.1016/j.ejmech.2020.112741 | HTH-type transcriptional regulator LuxR | 1 |
| 10995371 | 10.1021/jf000233+ | Citrus sinensis | 1 |
| 10995371 | 10.1021/jf000233+ | Citrus limon | 1 |
| 10995371 | 10.1021/jf000233+ | Malus domestica | 1 |
| 10995371 | 10.1021/jf000233+ | Citrus x paradisi | 1 |
| 10995371 | 10.1021/jf000233+ | Persea americana | 1 |
| 10995371 | 10.1021/jf000233+ | Oryza sativa | 1 |
| 17237762 | 10.1038/nature05544 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 10995371 | 10.1021/jf000233+ | Pseudococcus viburni | 1 |
| 10995371 | 10.1021/jf000233+ | Pseudococcus affinis | 1 |
| 10995371 | 10.1021/jf000233+ | Frankliniella occidentalis | 1 |
| 10995371 | 10.1021/jf000233+ | Bemisia | 1 |
| 10995371 | 10.1021/jf000233+ | Tetranychus urticae | 1 |
| 10995371 | 10.1021/jf000233+ | Brevicoryne brassicae | 1 |
Data from ChEMBL 36 via Core Engine