Compound Detail
CHEMBL341135
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Basic Information
| ChEMBL ID | CHEMBL341135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPERCWWUZZKHCL-LREOWRDNSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.70
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 8.4 | 8.4 | 4.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.89 | 5.89 | 1288.2 | 2 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| Arginase-1 CHEMBL1075060 | IC50 | 3.45 | 3.45 | 354000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Cyclooxygenase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of cyclooxygenase in rat RBL1 cells | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of 5-lipoxygenase in rat RBL1 cells | - |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1300.0 | nM | 5.89 | Compound concentration required to reduce HIV-1 Integrase 3'-processing activity... | 9767632 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1288.25 | nM | 5.89 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of bovine xanthine oxidase assessed as conversion of xanthine to uric... | 26762836 |
| Arginase-1 | IC50 | = | 354000.0 | nM | 3.45 | Inhibition of bovine liver arginase 1 using L-arginine as substrate incubated fo... | 38784454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22743086 | 10.1016/j.bmc.2012.05.062 | MDCK | 3 |
| 38784454 | 10.1039/d3md00713h | Arginase-1 | 1 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | No relevant target | 1 |
| 37150057 | 10.1016/j.ejmech.2023.115374 | Phosphodiesterase 4 | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | NON-PROTEIN TARGET | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | No relevant target | 1 |
| 26762836 | 10.1016/j.bmc.2015.12.024 | Xanthine dehydrogenase/oxidase | 1 |
| - | 10.1007/s00044-013-0745-7 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1007/s00044-013-0745-7 | Cyclooxygenase | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
| 8254620 | 10.1021/jm00076a019 | Rattus norvegicus | 1 |
| 8254620 | 10.1021/jm00076a019 | Unchecked | 1 |
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine