Compound Detail
CHEMBL195624
(E)-4-STYRYLPHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL195624 |
| Name | (E)-4-STYRYLPHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVLMUEOXQBUPAH-VOTSOKGWSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
196.2
MW (Da)
3.56
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.26
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.47 | 4.47 | 33600.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.46 | 4.46 | 34600.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.38 | 4.38 | 41686.9 | 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 | IC50 | = | 5500.0 | nM | 5.26 | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibitio... | 26750258 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 8400.0 | nM | 5.08 | Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of... | 26750258 |
| NON-PROTEIN TARGET | IC50 | = | 33600.0 | nM | 4.47 | Antiproliferative activity against BAEC after 3 days by MTT assay | 23623255 |
| HT-29 | IC50 | = | 34600.0 | nM | 4.46 | Antiproliferative activity against human HT-29 cells after 3 days by MTT assay | 23623255 |
| Androgen receptor | IC50 | = | 41686.94 | nM | 4.38 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9236-2 | No relevant target | 4 |
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 23623255 | 10.1016/j.bmc.2013.03.072 | NON-PROTEIN TARGET | 2 |
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 28576617 | 10.1016/j.bmcl.2017.05.025 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| 28625364 | 10.1016/j.bmcl.2017.05.080 | Transthyretin | 2 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 23623255 | 10.1016/j.bmc.2013.03.072 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine