Compound Detail
CHEMBL51128
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
N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(=O)C=O
Basic Information
| ChEMBL ID | CHEMBL51128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPOQILCXZOXJQX-PMACEKPBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
1.10
ALogP
6
HBA
4
HBD
151.4
PSA (Ų)
0.07
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL2323 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 40.0 | nM | 7.4 | Ability to block cathepsin B-catalyzed hydrolysis of the fluorogenic substrate Z... | 10937745 |
| Procathepsin L | Ki | = | 90.0 | nM | 7.05 | Ability to block cathepsin L-catalyzed hydrolysis of the fluorogenic substrate Z... | 10937745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937745 | 10.1016/s0960-894x(00)00340-1 | Procathepsin L | 1 |
| 10937745 | 10.1016/s0960-894x(00)00340-1 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine