Compound Detail
CHEMBL4854896
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NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cccc(C(OCC3CC3)c3ccccc3)c2F)c1
Basic Information
| ChEMBL ID | CHEMBL4854896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCYVMBLZCJPYSX-UHFFFAOYSA-N |
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.5
MW (Da)
6.26
ALogP
5
HBA
2
HBD
82.2
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.6
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | Ki | 7.6 | 7.6 | 25.1 | 7 |
| Plasma kallikrein CHEMBL2000 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34436898 | 10.1021/acs.jmedchem.1c00511 | Plasma kallikrein | 2 |
Data from ChEMBL 36 via Core Engine