Compound Detail
CHEMBL471270
5-O-METHYLEMBELIN 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 | CHEMBL471270 |
| Name | 5-O-METHYLEMBELIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.40
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.17 | 5.8267 | 680.0 | 3 |
| Macrophage-expressed gene 1 protein CHEMBL3414409 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.04 | 4.04 | 90190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 680.0 | nM | 6.17 | Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction ... | 25765759 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of 5-LOX in A23187-stimulated human blood PMNL assessed as reduction ... | 25765759 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 incubat... | 25765759 |
| Macrophage-expressed gene 1 protein | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of mPGES1 in IL-1beta stimulated human A549 cell microsomal membranes... | 25765759 |
| Unchecked | IC50 | = | 90190.0 | nM | 4.04 | Inhibition of hexa-His-tagged PAI-1 N152H/K156T/Q321L/M356I mutant (unknown orig... | 24731276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| - | 10.1007/s00044-013-0485-8 | Mycobacterium tuberculosis | 2 |
| 15165134 | 10.1021/np030477z | HL-60 | 1 |
| 15165134 | 10.1021/np030477z | Bel-7402 | 1 |
| 15165134 | 10.1021/np030477z | HeLa | 1 |
| 15165134 | 10.1021/np030477z | U-937 | 1 |
| 2778454 | 10.1021/np50063a031 | Oreochromis niloticus | 1 |
| 2778454 | 10.1021/np50063a031 | Globisporangium ultimum | 1 |
| 24731276 | 10.1016/j.bmcl.2014.03.045 | Unchecked | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 25765759 | 10.1016/j.ejmech.2015.02.042 | Macrophage-expressed gene 1 protein | 1 |
Data from ChEMBL 36 via Core Engine