Compound Detail
CHEMBL1078644
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
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS
Basic Information
| ChEMBL ID | CHEMBL1078644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXSBYZSNUOFHPT-SFTDATJTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
1.82
ALogP
4
HBA
6
HBD
132.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Elastase CHEMBL1075146 | Ki | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Elastase | Ki | = | 49000.0 | nM | 4.31 | Inhibition of Pseudomonas aeruginosa LasB by fluorimetric assay in buffer of pH ... | 19773163 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19773163 | 10.1016/j.bmcl.2009.08.099 | Elastase | 1 |
Data from ChEMBL 36 via Core Engine