Compound Detail
CHEMBL3642899
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Basic Information
| ChEMBL ID | CHEMBL3642899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRYCCXCWOKPCPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
3.17
ALogP
5
HBA
3
HBD
113.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enteropeptidase CHEMBL1741195 | Ki | 9.38 | 9.38 | 0.4 | 1 |
| Serine protease 1 CHEMBL209 | Ki | 8.75 | 8.75 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enteropeptidase | Ki | = | 0.42 | nM | 9.38 | Inhibition Assay: Inhibition assay using human enteropeptidase. | - |
| Serine protease 1 | Ki | = | 1.76 | nM | 8.75 | Inhibition Assay: Inhibition assay using human trysin. | - |
Data from ChEMBL 36 via Core Engine