Compound Detail
CHEMBL319543
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Basic Information
| ChEMBL ID | CHEMBL319543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POVSMFKXVSNGSU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
158.2
MW (Da)
2.28
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas.
Ki 1 meas. best 2.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 2.86 | 2.86 | 1370000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil cytosol factor 1 | Ki | = | 1370000.0 | nM | 2.86 | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 t... | 31922756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 2 |
| 10649984 | 10.1021/jm990437l | Ferriprotoporphyrin IX | 1 |
| 10649984 | 10.1021/jm990437l | Histidine-rich protein PFHRP-II | 1 |
| 10649984 | 10.1021/jm990437l | Plasmodium falciparum | 1 |
| 15481978 | 10.1021/jm049533z | Tyrosine-protein kinase TEC | 1 |
Data from ChEMBL 36 via Core Engine