Compound Detail
CHEMBL5219643
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NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)c1
Basic Information
| ChEMBL ID | CHEMBL5219643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQFNNZJJOCPZCP-UHFFFAOYSA-N |
1
Targets
17
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
6.13
ALogP
5
HBA
3
HBD
99.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 7.6
IC50 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | IC50 | 8.66 | 7.505 | 2.2 | 4 |
| Plasma kallikrein CHEMBL2000 | Ki | 7.6 | 7.6 | 25.1 | 13 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36208543 | 10.1016/j.bmc.2022.117035 | Plasma kallikrein | 4 |
Data from ChEMBL 36 via Core Engine