Compound Detail
CHEMBL465606
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Basic Information
| ChEMBL ID | CHEMBL465606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVZFDKACPFMQDJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.3
MW (Da)
3.24
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | Ki | 6.54 | 6.54 | 290.0 | 1 |
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 | Ki | = | 290.0 | nM | 6.54 | Inhibition of Flavobacterium meningosepticum PEP | 11809072 |
| Chymotrypsin-like elastase family member 1 | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of Flavobacterium meningosepticum PEP | 11809072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11809072 | 10.1021/np010194b | Unchecked | 9 |
| 11809072 | 10.1021/np010194b | Chymotrypsin-like elastase family member 1 | 5 |
Data from ChEMBL 36 via Core Engine