Compound Detail
CHEMBL209699
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Basic Information
| ChEMBL ID | CHEMBL209699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKSOTLMRJPMQCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
4.11
ALogP
3
HBA
2
HBD
58.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL4750 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as s... | 26899595 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of mouse Dyrk1A autophosphorylation in HEk293 cells | 16698266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26899595 | 10.1016/j.bmc.2016.01.042 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 3 |
| 16698266 | 10.1016/j.bmcl.2006.04.042 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2 |
Data from ChEMBL 36 via Core Engine