Compound Detail
CHEMBL5877277
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CCCN(c1ccccc1)c1ccc(F)c(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(CN)c2)c1
Basic Information
| ChEMBL ID | CHEMBL5877277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZQCKHUBEMVLQD-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.5
MW (Da)
6.29
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasma kallikrein CHEMBL2000 | Ki | 7.6 | 7.6 | 25.1 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Plasma Kallikrein Activity Assay: The effect of compounds of the invention on hu... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Activity Assay: The effect of compounds of the invention on human plasma kallikr... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Activity Assay: The effect of compounds of the invention on human plasma kallikr... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Plasma kallikrein Activity Assay: The effect of compounds of the invention on hu... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Plasma Kallikrein Activity Assay.: The effect of compounds of the invention on h... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Plasma Kallikrein Activity Assay: Plasma kallikrein activity assay. The effect o... | - |
| Plasma kallikrein | Ki | = | 25.1 | nM | 7.6 | Plasma Kallikrein Activity Assay: Plasma kallikrein activity assay. The effect o... | - |
Data from ChEMBL 36 via Core Engine