Compound Detail
CHEMBL460862
(-)-PINORESINOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL460862 |
| Name | (-)-PINORESINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXBRUKMWQGOIE-FEBSWUBLSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.19
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| XF498 CHEMBL613533 | IC50 | 4.88 | 4.88 | 13320.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.73 | 4.73 | 18690.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.58 | 4.58 | 26190.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 4.58 | 4.58 | 26600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of 15LOX in rabbit reticulocytes by EIA assay | 17378609 |
| XF498 | IC50 | = | 13320.0 | nM | 4.88 | Anticancer activity against human XF498 cells by SRB assay | 21420296 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 13800.0 | nM | 4.86 | Inhibition of 5LOX in human PBMC by EIA assay | 17378609 |
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 18690.0 | nM | 4.73 | Inhibition of PTP1B (unknown origin) assessed as p-nitrophenol release from pNPP... | 24224843 |
| BV-2 | IC50 | = | 26190.0 | nM | 4.58 | Antiinflammatory activity in mouse BV2 cells assessed as inhibition of lipopolys... | 21420296 |
| SK-MEL-2 | IC50 | = | 26600.0 | nM | 4.58 | Anticancer activity against human SK-MEL-2 cells by SRB assay | 21420296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14518939 | 10.1021/jf034644c | Allium cepa | 4 |
| 14518939 | 10.1021/jf034644c | Solanum lycopersicum | 4 |
| 14518939 | 10.1021/jf034644c | Lactuca sativa | 3 |
| 17378609 | 10.1021/np0605539 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 17378609 | 10.1021/np0605539 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 17378609 | 10.1021/np0605539 | Prostaglandin G/H synthase 2 | 1 |
| 11421741 | 10.1021/np010037c | Plasmodium falciparum | 1 |
| 18986199 | 10.1021/np8004166 | RAW264.7 | 1 |
| 21420296 | 10.1016/j.bmcl.2011.02.104 | BV-2 | 1 |
| 21420296 | 10.1016/j.bmcl.2011.02.104 | A549 | 1 |
| 21420296 | 10.1016/j.bmcl.2011.02.104 | SK-MEL-2 | 1 |
| 21420296 | 10.1016/j.bmcl.2011.02.104 | XF498 | 1 |
| 21420296 | 10.1016/j.bmcl.2011.02.104 | SK-OV-3 | 1 |
| 21627109 | 10.1021/np2001896 | PC-12 | 1 |
| 24224843 | 10.1021/np400533h | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine