Compound Detail
CHEMBL3667882
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N[C@@H](CO)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3667882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGOXWLZRNRRTHV-ZDUSSCGKSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
1.52
ALogP
7
HBA
5
HBD
162.8
PSA (Ų)
0.17
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enteropeptidase CHEMBL1741195 | Ki | 9.34 | 9.34 | 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 | = | 0.46 | nM | 9.34 | Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL)... | - |
| Enteropeptidase | Ki | = | 0.46 | nM | 9.34 | Enteropeptidase Inhibition Assay: Using a 96 well plate (#3915, Costar), a test ... | - |
| Enteropeptidase | Ki | = | 0.46 | nM | 9.34 | 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