Compound Detail
CHEMBL59598
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Basic Information
| ChEMBL ID | CHEMBL59598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLZHFFKRBCZHHT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
2.72
ALogP
4
HBA
2
HBD
88.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.16 | 7.13 | 70.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.53 | 6.53 | 298.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.4 | hr | Simiiformes |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of 5-lipoxygenase (5-LO) measured as LTB4 production in human whole b... | 9207936 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 80.0 | nM | 7.1 | 5-lipoxygenase Inhibitory activity was measured by enzyme immunoassay using huma... | 7490726 |
| Homo sapiens | IC50 | = | 100.0 | nM | 7.0 | Compound was evaluated for inhibiting production of LTB4 in calcium Ionophore (A... | 9599246 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 298.0 | nM | 6.53 | Inhibition of 5-lipoxygenase mediated conversion of [14C]arachidonic acid to leu... | 9599246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207936 | 10.1021/jm9700474 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 9207936 | 10.1021/jm9700474 | ADMET | 2 |
| 9599246 | 10.1021/jm980046r | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9599246 | 10.1021/jm980046r | Homo sapiens | 1 |
| 7490726 | 10.1021/jm00024a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 7490726 | 10.1021/jm00024a004 | Rattus norvegicus | 1 |
| 7490726 | 10.1021/jm00024a004 | Monkey | 1 |
| 9207936 | 10.1021/jm9700474 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine