Compound Detail
CHEMBL1367191
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Basic Information
| ChEMBL ID | CHEMBL1367191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKKBBBALMHJWAE-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
4.56
ALogP
4
HBA
1
HBD
34.1
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 6.4
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.4 | 6.1 | 400.0 | 2 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.6 | 5.6 | 2487.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.99 | 4.99 | 10288.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of partially purified recombinant 5-lipoxygenase (unknown origin) usi... | 25036790 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of 5-lipoxygenase in human PMNL using arachidonic acid as substrate p... | 25036790 |
| Nuclear factor NF-kappa-B complex | EC50 | = | 2487.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 10288.18 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 1 | 1 |
| 25036790 | 10.1016/j.ejmech.2014.07.025 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine