Compound Detail
CHEMBL5596128
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Basic Information
| ChEMBL ID | CHEMBL5596128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTDKDNZPVIALG-IJOGZLALSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
4.91
ALogP
6
HBA
3
HBD
124.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL613710 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| NAD-dependent protein deacetylase sirtuin-2 CHEMBL4462 | IC50 | 5.62 | 5.62 | 2420.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 5.31 | 5.31 | 4910.0 | 1 |
| Myeloblastin CHEMBL3900 | IC50 | 4.68 | 4.68 | 20690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 900.0 | nM | 6.05 | Inhibition of O2 generation in fMLP/CB-induced human neutrophils by cell based a... | 37939864 |
| Unchecked | IC50 | = | 1860.0 | nM | 5.73 | Inhibition of elastase release in fMLP/CB-induced human neutrophils by cell base... | 37939864 |
| NAD-dependent protein deacetylase sirtuin-2 | IC50 | = | 2420.0 | nM | 5.62 | Inhibition of SIRT2 (unknown origin) activity | 37939864 |
| Neutrophil elastase | IC50 | = | 4910.0 | nM | 5.31 | Inhibition of human neutrophil elastase by enzymatic assay | 37939864 |
| Myeloblastin | IC50 | = | 20690.0 | nM | 4.68 | Inhibition of PR3 (unknown origin) activity | 37939864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37939864 | 10.1016/j.bmcl.2023.129544 | Unchecked | 2 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | Neutrophil elastase | 1 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | Neutrophil | 1 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | Myeloblastin | 1 |
| 37939864 | 10.1016/j.bmcl.2023.129544 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine