Compound Detail
CHEMBL4848851
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NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2F)c1
Basic Information
| ChEMBL ID | CHEMBL4848851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLIYHNUKKXMDOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
533.5
MW (Da)
4.06
ALogP
6
HBA
3
HBD
133.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 6.4 | 6.4 | 395.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | IC50 | = | 395.0 | nM | 6.4 | Inhibition of purified human plasma kallikrein using H-D-Pro-Phe-Arg-pNA.2HCl as... | 34436898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34436898 | 10.1021/acs.jmedchem.1c00511 | Plasma kallikrein | 1 |
Data from ChEMBL 36 via Core Engine