Compound Detail
CHEMBL103600
DIMETHYLNORDIHYDROGUARIERATE ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL103600 |
| Name | DIMETHYLNORDIHYDROGUARIERATE ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHAGEYRSWPQEQJ-OKILXGFUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.17
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| COS-1 CHEMBL614563 | IC50 | 4.53 | 4.53 | 29880.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of His-tagged human reticulocyte 15-lipoxygenase | 12608855 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of His-tagged human platelet 12-lipoxygenase | 12608855 |
| COS-1 | IC50 | = | 29880.0 | nM | 4.53 | Inhibitory activity against HIV Tat-regulated Transactivation in COS cells. | 9685238 |
| Unchecked | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of soybean 15-lipoxygenase | 12608855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9685238 | 10.1021/jm970819w | COS-1 | 8 |
| 12608855 | 10.1021/np020462l | Unchecked | 4 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 12608855 | 10.1021/np020462l | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine