Compound Detail
CHEMBL3672877
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Basic Information
| ChEMBL ID | CHEMBL3672877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQNVEJVKVQTREV-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
1.79
ALogP
8
HBA
4
HBD
159.7
PSA (Ų)
0.18
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enteropeptidase CHEMBL1741195 | Ki | 9.28 | 9.28 | 0.5 | 3 |
| Serine protease 1 CHEMBL209 | Ki | 9.12 | 9.12 | 0.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enteropeptidase | Ki | = | 0.53 | nM | 9.28 | Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL)... | - |
| Enteropeptidase | Ki | = | 0.53 | nM | 9.28 | Enteropeptidase Inhibition Assay: Using a 96 well plate (#3915, Costar), a test ... | - |
| Enteropeptidase | Ki | = | 0.53 | nM | 9.28 | Inhibitory Activity Assay: Using a 96 well plate (#3915, Costar), a test compoun... | - |
| Serine protease 1 | Ki | = | 0.75 | nM | 9.12 | Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL)... | - |
| Serine protease 1 | Ki | = | 0.75 | nM | 9.12 | Trypsin Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound... | - |
| Serine protease 1 | Ki | = | 0.75 | nM | 9.12 | Inhibitory Activity Assay: Using a 96 well plate (#3915, Costar), a test compoun... | - |
Data from ChEMBL 36 via Core Engine