Compound Detail
CHEMBL340062
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
CCOC(=O)C(F)(F)C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)C(C)C
Basic Information
| ChEMBL ID | CHEMBL340062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSTCCBDGZQEDDG-FPXQBCRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
-0.15
ALogP
9
HBA
3
HBD
177.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | Ki | 5.37 | 5.37 | 4300.0 | 1 |
| Pancreatic elastase CHEMBL2096984 | Ki | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsin-like elastase family member 1 | Ki | = | 4300.0 | nM | 5.37 | Binding affinity against human Elastase | 2296031 |
| Pancreatic elastase | Ki | = | 9900.0 | nM | 5.0 | Binding affinity for porcine Elastase | 2296031 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296031 | 10.1021/jm00163a063 | Pancreatic elastase | 1 |
| 2296031 | 10.1021/jm00163a063 | Chymotrypsin-like elastase family member 1 | 1 |
Data from ChEMBL 36 via Core Engine