Compound Detail
CHEMBL502242
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Basic Information
| ChEMBL ID | CHEMBL502242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZMQXDYEGKRZDG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.87
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 4.84 | 4.67 | 14500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of oxidative burst in PMA-stimulated human neutrophils assessed as in... | 23871908 |
| Neutrophil | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of oxidative burst in PMA-stimulated human neutrophils assessed as in... | 23871908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871908 | 10.1016/j.ejmech.2013.06.019 | Neutrophil | 4 |
| 1800636 | 10.1021/np50077a018 | Unchecked | 1 |
| 1812215 | 10.1021/np50078a027 | A549 | 1 |
| 1812215 | 10.1021/np50078a027 | MCF7 | 1 |
| 1812215 | 10.1021/np50078a027 | HT-29 | 1 |
| 1812215 | 10.1021/np50078a027 | SK-MEL | 1 |
| 1812215 | 10.1021/np50078a027 | Malme-3M | 1 |
| 1479375 | 10.1021/np50089a001 | Tyrosine-protein kinase Lck | 1 |
| 21907578 | 10.1016/j.bmcl.2011.08.077 | Unchecked | 1 |
| 23871908 | 10.1016/j.ejmech.2013.06.019 | ADMET | 1 |
| 24368208 | 10.1016/j.ejmech.2013.11.030 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 32364726 | 10.1021/acs.jnatprod.0c00014 | Fructose-1,6-bisphosphatase 1 | 1 |
| 32883638 | 10.1016/j.ejmech.2020.112754 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine