Compound Detail
CHEMBL5409443
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Basic Information
| ChEMBL ID | CHEMBL5409443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRZPTEBCEPBNFO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.69
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage CHEMBL5314319 | IC50 | 5.61 | 5.61 | 2460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage | IC50 | = | 2460.0 | nM | 5.61 | Anti-inflammatory activity in mouse macrophages extracted from abdominal activit... | 37683361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Providencia stuartii | 5 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Staphylococcus aureus | 5 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Klebsiella pneumoniae | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Escherichia coli | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Pseudomonas aeruginosa | 4 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Candida albicans | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Meyerozyma guilliermondii | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Nannizzia gypsea | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | Enterococcus faecalis | 1 |
| 37253120 | 10.1021/acs.jnatprod.3c00219 | CCRF-CEM | 1 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | Macrophage | 1 |
Data from ChEMBL 36 via Core Engine