Compound Detail
CHEMBL1449583
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Basic Information
| ChEMBL ID | CHEMBL1449583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPFJVSRZYNTHHT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
4.68
ALogP
2
HBA
2
HBD
24.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | IC50 | 6.46 | 6.46 | 350.0 | 2 |
| Trypsin CHEMBL2366 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | IC50 | = | 350.0 | nM | 6.46 | Inhibition of hepsin (unknown origin) | 25882520 |
| Serine protease hepsin | IC50 | = | 350.0 | nM | 6.46 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
| Trypsin | IC50 | = | 19600.0 | nM | 4.71 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882520 | 10.1016/j.bmc.2015.03.072 | Serine protease hepsin | 1 |
Data from ChEMBL 36 via Core Engine