Compound Detail
CHEMBL5850171
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Nc1nccc2ccc(-n3nc(C(F)(F)F)cc3C(=O)Nc3cc(C(N)(CCC4CC4)c4ccncc4)ccc3F)cc12
Basic Information
| ChEMBL ID | CHEMBL5850171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGYDOWYGLFEYGE-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
589.6
MW (Da)
6.20
ALogP
7
HBA
3
HBD
124.7
PSA (Ų)
0.19
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