Compound Detail
CHEMBL188730
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Basic Information
| ChEMBL ID | CHEMBL188730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IADRCPCBGGCJKR-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
1.83
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.2
Kd 1 meas. best 3.47
Ki 1 meas. best 3.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase TEC CHEMBL5025 | EC50 | 4.2 | 4.2 | 63000.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Ki | 3.62 | 3.62 | 241000.0 | 1 |
| Neutrophil cytosol factor 1 CHEMBL1613743 | Kd | 3.47 | 3.47 | 341000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase TEC | EC50 | = | 63000.0 | nM | 4.2 | Displacement of PRP-1 peptide from mouse Tec kinase SH3 domain by fluorescence p... | 15481978 |
| Neutrophil cytosol factor 1 | Ki | = | 241000.0 | nM | 3.62 | Covalent inhibition of recombinant human His-tagged p47phox SH3A-B domain (151 t... | 31922756 |
| Neutrophil cytosol factor 1 | Kd | = | 341000.0 | nM | 3.47 | Binding affinity to immobilized recombinant human His-tagged p47phox SH3A-B doma... | 31922756 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31922756 | 10.1021/acs.jmedchem.9b01492 | Neutrophil cytosol factor 1 | 2 |
| 15481978 | 10.1021/jm049533z | Tyrosine-protein kinase TEC | 1 |
Data from ChEMBL 36 via Core Engine