Compound Detail
CHEMBL33943
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Basic Information
| ChEMBL ID | CHEMBL33943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSHZPTCZLWATBZ-CSKARUKUSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.60
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 5.63 | 5.63 | 2330.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.82 | 4.76 | 15000.0 | 2 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 2330.0 | nM | 5.63 | Inhibition of the production of Interleukin-1-beta from human peripheral blood m... | 8496911 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
| Cyclooxygenase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
| Unchecked | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of PMA-induce ROS/RNS generation in human neutrophils measured up to ... | 33006891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36731248 | 10.1016/j.bmc.2023.117187 | Staphylococcus aureus | 7 |
| 19640715 | 10.1016/j.bmcl.2009.07.082 | Unchecked | 2 |
| 22112540 | 10.1016/j.bmc.2011.10.074 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 22727643 | 10.1016/j.bmcl.2012.05.112 | Staphylococcus aureus | 2 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Unchecked | 2 |
| 8496911 | 10.1021/jm00062a016 | Homo sapiens | 1 |
| 22112540 | 10.1016/j.bmc.2011.10.074 | ATP-dependent translocase ABCB1 | 1 |
| 22112540 | 10.1016/j.bmc.2011.10.074 | Multidrug resistance-associated protein 1 | 1 |
| - | 10.1007/s00044-012-0177-9 | Chitin synthase 3 | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 33006891 | 10.1021/acs.jnatprod.0c00728 | Neutrophil | 1 |
Data from ChEMBL 36 via Core Engine