Compound Detail
CHEMBL433135
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Basic Information
| ChEMBL ID | CHEMBL433135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXMOPIDYHUYOED-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185793 |
| Active Moiety | CHEMBL1185793 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
1.84
ALogP
4
HBA
4
HBD
125.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Kallikrein-1 CHEMBL2319 | IC50 | 5.63 | 5.63 | 2320.0 | 1 |
| Plasminogen CHEMBL3204 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 55.0 | nM | 7.26 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| Kallikrein-1 | IC50 | = | 2320.0 | nM | 5.63 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
| Plasminogen | IC50 | = | 12500.0 | nM | 4.9 | Concentration required to inhibit enzymatic cleavage of the chromogenic substrat... | 7629790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7629790 | 10.1021/jm00014a003 | Kallikrein-1 | 2 |
| 7629790 | 10.1021/jm00014a003 | Serine protease 1 | 1 |
| 7629790 | 10.1021/jm00014a003 | Prothrombin | 1 |
| 7629790 | 10.1021/jm00014a003 | Plasminogen | 1 |
| 7629790 | 10.1021/jm00014a003 | Chymotrypsinogen A | 1 |
| 7629790 | 10.1021/jm00014a003 | Cathepsin G | 1 |
| 7629790 | 10.1021/jm00014a003 | Neutrophil elastase | 1 |
| 7629790 | 10.1021/jm00014a003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine