Compound Detail
CHEMBL188181
3,5-O-DIMETHYLPINOSYLVIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL188181 |
| Name | 3,5-O-DIMETHYLPINOSYLVIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIYGTLDPTJMNET-CMDGGOBGSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
240.3
MW (Da)
3.87
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
EC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 100.0 | nM | 7.0 | inhibitory concentration against PGE-2 production in LPS-stimulated RAW264.7 cel... | 15501064 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 1700.0 | nM | 5.77 | Agonist activity at rat TRPA1 expressed in HEK293 cells assessed as induction of... | 26750258 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 3400.0 | nM | 5.47 | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibitio... | 26750258 |
| Acetylcholinesterase | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of Electrophorus electricus C2888 AChE using acetylthiocholine iodide... | 23134335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26750258 | 10.1016/j.bmcl.2015.12.065 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 11421729 | 10.1021/np000597w | Cladosporium cucumerinum | 2 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Staphylococcus aureus | 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 |
| 15501064 | 10.1016/j.bmcl.2004.09.022 | RAW264.7 | 1 |
| 11421729 | 10.1021/np000597w | Aedes aegypti | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Mycolicibacterium smegmatis | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Escherichia coli | 1 |
| 18849164 | 10.1016/j.bmcl.2008.09.085 | Bacillus cereus | 1 |
| 23134335 | 10.1021/np300660y | Acetylcholinesterase | 1 |
| 23134335 | 10.1021/np300660y | KB | 1 |
| 21314127 | 10.1021/jf104742n | Phomopsis obscurans | 1 |
| 21314127 | 10.1021/jf104742n | No relevant target | 1 |
| 27426305 | 10.1016/j.bmcl.2016.07.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine