Compound Detail
CHEMBL4641674
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Basic Information
| ChEMBL ID | CHEMBL4641674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRUDWCLMJWAWIB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
6.16
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1400.0 | nM | 5.85 | Inhibition of bovine chymotrypsin using flurogenic substrate as chymotrypsin sub... | 32944141 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32944141 | 10.1021/acsmedchemlett.0c00284 | Unchecked | 4 |
| 32944141 | 10.1021/acsmedchemlett.0c00284 | Cathepsin G | 1 |
Data from ChEMBL 36 via Core Engine