Compound Detail
CHEMBL49249
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Basic Information
| ChEMBL ID | CHEMBL49249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AADLAGXMYDHEAD-UVTDQMKNSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
3.67
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| RBL-1 CHEMBL614772 | IC50 | 6.77 | 6.435 | 170.0 | 2 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated ... | 8295221 |
| RBL-1 | IC50 | = | 170.0 | nM | 6.77 | Compound was tested for its inhibitory activity against LTB4 (5-LO) formation in... | - |
| Cyclooxygenase | IC50 | = | 790.0 | nM | 6.1 | Inhibition of prostaglandin G/H synthase in intact rat basophilic leukemia cells... | 8295221 |
| RBL-1 | IC50 | = | 790.0 | nM | 6.1 | Compound was tested for its inhibitory activity against PGF-2 alpha (CO) formati... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80051-7 | RBL-1 | 2 |
| 8295221 | 10.1021/jm00028a017 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Cyclooxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80051-7 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80051-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine