Compound Detail
CHEMBL1406616
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 | CHEMBL1406616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWBPUFDYIDUJIE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
290.8
MW (Da)
3.18
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.21 | 5.21 | 6126.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 5.03 | 5.03 | 9302.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.95 | 4.95 | 11259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase asses... | 21739938 |
| Nuclear receptor coactivator 3 | IC50 | = | 6126.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Tegument protein VP16 | IC50 | = | 9302.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 11259.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine