Compound Detail
CHEMBL3913427
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Basic Information
| ChEMBL ID | CHEMBL3913427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWGVBSMSXWOLHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
3.82
ALogP
8
HBA
0
HBD
92.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL4098 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 0.61 | nM | 9.21 | Inhibition Assay: First, spleen cells collected from C57BL/6 mice were seeded in... | - |
| Cathepsin S | IC50 | = | 1.0 | nM | 9.0 | Inhibition Assay: 5 μL of a human cathepsin S enzyme (R&D1183-CY-010) was added ... | - |
Data from ChEMBL 36 via Core Engine