Compound Detail
CHEMBL2171390
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
Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cc(OCC(=O)C(C)(C)C)n(-c2ccccc2F)n1
Basic Information
| ChEMBL ID | CHEMBL2171390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSUKZNUHAPIXJI-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
4.26
ALogP
6
HBA
2
HBD
110.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysosomal protective protein CHEMBL6115 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysosomal protective protein | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human recombinant Myc-His10-tagged cathepsin A expressed in baculo... | 22861813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22861813 | 10.1021/jm300663n | Caco-2 | 1 |
| 22861813 | 10.1021/jm300663n | Lysosomal protective protein | 1 |
Data from ChEMBL 36 via Core Engine