Compound Detail
CHEMBL4287883
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Basic Information
| ChEMBL ID | CHEMBL4287883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTDYHOXTZCSNKC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
7.05
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of 5-LO in human neutrophils using arachidonic acid as substrate asse... | 30053720 |
| Prostaglandin E synthase | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of mPGES-1 isolated from microsomes of interleukin-1 beta-stimulated ... | 30053720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30053720 | 10.1016/j.ejmech.2018.07.031 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 30053720 | 10.1016/j.ejmech.2018.07.031 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine