Compound Detail
CHEMBL3983642
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Basic Information
| ChEMBL ID | CHEMBL3983642 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPPXHMYZMGBZCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.1
MW (Da)
5.92
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease hepsin CHEMBL2079849 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| Trypsin CHEMBL2366 | IC50 | 5.77 | 5.77 | 1710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease hepsin | IC50 | = | 720.0 | nM | 6.14 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
| Trypsin | IC50 | = | 1710.0 | nM | 5.77 | High-Throughput Screening Assay: To identify novel inhibitors of hepsin, the Che... | - |
Data from ChEMBL 36 via Core Engine