Compound Detail
CHEMBL105386
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Basic Information
| ChEMBL ID | CHEMBL105386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVICCSAPBVEDOP-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.04
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.3 | 5.38 | 500.0 | 2 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.09 | 6.09 | 810.0 | 1 |
| Thromboxane-A synthase CHEMBL4028 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 270.0 | nM | 6.57 | Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cell... | 7932529 |
| Homo sapiens | IC50 | = | 500.0 | nM | 6.3 | Tested for inhibitory activity against the production of leukotriene B4 (LTB4) i... | 7932529 |
| Thromboxane-A synthase | IC50 | = | 810.0 | nM | 6.09 | Tested for inhibitory activity against thromboxane A2 (TXA2) synthetase in micro... | 7932529 |
| Thromboxane-A synthase | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-... | 7932529 |
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | Tested for inhibitory activity against thromboxane B2 (TXB2) in human platelets | 7932529 |
| Homo sapiens | IC50 | = | 34800.0 | nM | 4.46 | Tested for inhibitory activity against the production of thromboxane B2 (TXB2) i... | 7932529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932529 | 10.1021/jm00045a011 | Unchecked | 4 |
| 7932529 | 10.1021/jm00045a011 | Homo sapiens | 3 |
| 7932529 | 10.1021/jm00045a011 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 7932529 | 10.1021/jm00045a011 | Thromboxane-A synthase | 2 |
| 7932529 | 10.1021/jm00045a011 | Cyclooxygenase | 1 |
| 7932529 | 10.1021/jm00045a011 | Leukotriene B4 receptor 1 | 1 |
| 7932529 | 10.1021/jm00045a011 | Myeloperoxidase | 1 |
| 7932529 | 10.1021/jm00045a011 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine