Compound Detail
CHEMBL476678
(E)-5-METHOXY-4'-STILBENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL476678 |
| Name | (E)-5-METHOXY-4'-STILBENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVJLZUWCAUTTBS-AATRIKPKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
226.3
MW (Da)
3.57
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.18
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.0 | 5.0 | 10100.0 | 1 |
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 | = | 6600.0 | nM | 5.18 | Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of... | 26750258 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 10100.0 | nM | 5.0 | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibitio... | 26750258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8254344 | 10.1021/np50099a002 | Candida albicans | 6 |
| 8254344 | 10.1021/np50099a002 | Trichophyton mentagrophytes | 6 |
| 8254344 | 10.1021/np50099a002 | Bacillus subtilis | 4 |
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 26402726 | 10.1016/j.ejmech.2015.09.014 | ADMET | 2 |
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 8254344 | 10.1021/np50099a002 | Escherichia coli | 1 |
| 8254344 | 10.1021/np50099a002 | P388 | 1 |
| 8254344 | 10.1021/np50099a002 | Amorphotheca resinae | 1 |
| 21314127 | 10.1021/jf104742n | Phomopsis obscurans | 1 |
| 21314127 | 10.1021/jf104742n | Diaporthe ampelina | 1 |
| 21314127 | 10.1021/jf104742n | No relevant target | 1 |
| 26402726 | 10.1016/j.ejmech.2015.09.014 | HEK293 | 1 |
| 26402726 | 10.1016/j.ejmech.2015.09.014 | MCF7 | 1 |
| 26402726 | 10.1016/j.ejmech.2015.09.014 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine