Compound Detail
CHEMBL99469
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Basic Information
| ChEMBL ID | CHEMBL99469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORLBSUXVKNWEPA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
5.55
ALogP
5
HBA
1
HBD
75.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.7 | 8.35 | 2.0 | 4 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 1000.0 | nM | Rattus norvegicus |
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2.0 | nM | 8.7 | Test inhibition of LTB4 production in human peripheral blood polymorphonuclear l... | 8831761 |
| Homo sapiens | IC50 | = | 2.0 | nM | 8.7 | Compound was evaluated for production of leukotriene B4 in Ca+2 -ionophore -acti... | 9288168 |
| Homo sapiens | IC50 | = | 10.0 | nM | 8.0 | Compound was tested for the inhibition of LTB4 production in human whole blood (... | 8831761 |
| Homo sapiens | IC50 | = | 10.0 | nM | 8.0 | Compound was evaluated for production of leukotriene B4 in human whole blood (HW... | 9288168 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 30.0 | nM | 7.52 | Potency to inhibit oxidation of arachidonic acid by recombinant human 5-lipoxyge... | 8831761 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectr... | 9288168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831761 | 10.1021/jm960301c | Homo sapiens | 2 |
| 9288168 | 10.1021/jm970046b | Homo sapiens | 2 |
| 8831761 | 10.1021/jm960301c | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9288168 | 10.1021/jm970046b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9288168 | 10.1021/jm970046b | ADMET | 1 |
| 9288168 | 10.1021/jm970046b | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine