Compound Detail
CHEMBL32842
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Basic Information
| ChEMBL ID | CHEMBL32842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEJSGEVFYKLAOJ-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
492.0
MW (Da)
7.35
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.3 | 8.0 | 5.0 | 3 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 6.91 | 6.91 | 122.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 100.0 | % | Rattus norvegicus |
| F | 93.0 | % | Saimiri sciureus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 5.0 | nM | 8.3 | Leukotriene synthesis inhibition activity in the Human PMN assay | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7.0 | nM | 8.15 | Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neu... | 10691695 |
| Unchecked | IC50 | = | 7.0 | nM | 8.15 | Inhibition of leukotriene synthesis was assessed from inhibitory activity agains... | - |
| Homo sapiens | IC50 | = | 10.0 | nM | 8.0 | Leukotriene synthesis inhibition activity in the Human PMN assay | - |
| Homo sapiens | IC50 | = | 20.0 | nM | 7.7 | Leukotriene synthesis inhibition activity in the Human PMN assay | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of 5-LOX in indomethacin stimulated rat PMNL cells assessed as reduct... | 28784429 |
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 122.0 | nM | 6.91 | The compound was tested for the inhibition of binding of [125I]- L- 691,831 bind... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80520-X | Homo sapiens | 4 |
| - | 10.1016/S0960-894X(01)81169-0 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(01)81169-0 | Unchecked | 2 |
| - | 10.1016/S0960-894X(00)80520-X | Arachidonate 5-lipoxygenase-activating protein | 1 |
| 10691695 | 10.1021/jm9904102 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 10691695 | 10.1021/jm9904102 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)81169-0 | ADMET | 1 |
| 28784429 | 10.1016/j.ejmech.2017.07.019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine