Compound Detail
CHEMBL2028907
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@H](C)[C@H](NC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](C(=O)OC)C(C)C
Basic Information
| ChEMBL ID | CHEMBL2028907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLXFGUGFOLETFJ-POPCVQDUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
805.0
MW (Da)
1.07
ALogP
10
HBA
9
HBD
286.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin B CHEMBL4072 | Ki | 10.06 | 10.06 | 0.1 | 1 |
| Papain CHEMBL4779 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Cathepsin K CHEMBL268 | Ki | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin B | Ki | = | 0.088 | nM | 10.06 | Inhibition of Human Cathepsin B | 12213061 |
| Papain | Ki | = | 0.77 | nM | 9.11 | In vitro inhibition of papain. | 12213061 |
| Cathepsin K | Ki | = | 21.0 | nM | 7.68 | Inhibition of Human Cathepsin K | 12213061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213061 | 10.1021/jm020850k | Papain | 1 |
| 12213061 | 10.1021/jm020850k | Cathepsin B | 1 |
| 12213061 | 10.1021/jm020850k | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine