Compound Detail
CHEMBL3314611
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)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL3314611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNPQJKICJQEMBY-DAOOESDTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
671.9
MW (Da)
1.08
ALogP
8
HBA
8
HBD
223.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2323 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of bovine spleen cathepsin B using Z-Arg-Arg-AMC as substrate after 3... | 24960234 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24960234 | 10.1021/np500337m | Unchecked | 1 |
| 24960234 | 10.1021/np500337m | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine